Geometry & MOs

Info

ID:	235434
PubChem CID:	92708879
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	324.129634
ΔH_f, kcal/mol:	-46.5
Dipole, Da:	3.98
IP(EA), eV:	-8.33(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations