Geometry & MOs

Info

ID:	375988
PubChem CID:	134221987
Reduced:	ClFNO6C33H35 (1)
Stoich.:	ABCD6E33F35 (1)
Weight, g/mol:	618.169559
ΔH_f, kcal/mol:	-276.19
Dipole, Da:	10.84
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1E,4E,6E,8Z)-7-chloro-6-ethyl-4-methyl-3-(trifluoromethyl)deca-1,4,6,8-tetraenyl]-N-methyl-N'-(4,4,4-trifluorobutanoyl)-2-(trifluoromethyl)benzohydrazide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC2=C(CCN2C(=O)C3=CC(=C(C=C3)Cl)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC2=C(CCN2C(=O)C3=CC(=C(C=C3)Cl)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):