Geometry & MOs

Info

ID:	234943
PubChem CID:	92303756
Reduced:	ClON2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	382.181191
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	3.99
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@H](CC(=O)N[C@@H](C)CC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations