Geometry & MOs

Info

ID:	235431
PubChem CID:	92708848
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	2.1
IP(EA), eV:	-8.05(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations