Geometry & MOs

Info

ID:	234840
PubChem CID:	92303587
Reduced:	FSN2O2C22H25 (1)
Stoich.:	ABC2D2E22F25 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	3.91
IP(EA), eV:	-8.86(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2[C@H](SCC2=O)C3=CC(=CC=C3)NC(=O)CC(C)(C)C

DOS

IR

Vibrations