Geometry & MOs

Info

ID:	235433
PubChem CID:	92708862
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-4.07
Dipole, Da:	1.4
IP(EA), eV:	-8.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C[C@H](C2=CC=CS2)N3C=CC=C3

DOS

IR

Vibrations