Geometry & MOs

Info

ID:	375917
PubChem CID:	134221913
Reduced:	ClNF2O5C32H32 (1)
Stoich.:	ABC2D5E32F32 (1)
Weight, g/mol:	511.172578
ΔH_f, kcal/mol:	-282.37
Dipole, Da:	10.26
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-butoxy-5-fluoro-2-methylphenyl)-1-(4-chloro-2-fluorobenzoyl)-6-methyl-2,3-dihydroindol-5-yl]acetaldehyde

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=C(C=C(C=C3)Cl)F)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=C(C=C(C=C3)Cl)F)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):