Geometry & MOs

Info

ID:	234942
PubChem CID:	92303754
Reduced:	SN2O2C25H30 (1)
Stoich.:	AB2C2D25E30 (1)
Weight, g/mol:	382.181191
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	5.82
IP(EA), eV:	-8.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-butan-2-yl]-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2[C@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations