Geometry & MOs

Info

ID:	234782
PubChem CID:	92303482
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	421.252941
ΔH_f, kcal/mol:	-72.33
Dipole, Da:	5.41
IP(EA), eV:	-8.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations