Geometry & MOs

Info

ID:	234879
PubChem CID:	92303647
Reduced:	FSN2O2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	426.230728
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	5.54
IP(EA), eV:	-8.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-butyl-3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NC2=CC=C(C=C2)[C@@H]3N(C(=O)CS3)C4=CC(=CC=C4)F

DOS

IR

Vibrations