Geometry & MOs

Info

ID:	162687
PubChem CID:	57551434
Reduced:	FSN2O2H23C24 (1)
Stoich.:	ABC2D2E23F24 (1)
Weight, g/mol:	429.185255
ΔH_f, kcal/mol:	-72.02
Dipole, Da:	2.76
IP(EA), eV:	-8.18(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=CC=C(C=C3)C4=CC=C(S4)CO

DOS

IR

Vibrations