Geometry & MOs

Info

ID:	375820
PubChem CID:	134221810
Reduced:	NSF2O5C28H29 (1)
Stoich.:	ABC2D5E28F29 (1)
Weight, g/mol:	572.1053
ΔH_f, kcal/mol:	-263.69
Dipole, Da:	5.09
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]benzamide

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=CC=C(C=C1)C2=C(C(=CC3=C2CCN3S(=O)(=O)C4=CC(=C(C=C4)F)F)C)[C@@H](C(=O)O)OC(C)(C)C

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=CC=C(C=C1)C2=C(C(=CC3=C2CCN3S(=O)(=O)C4=CC(=C(C=C4)F)F)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):