Geometry & MOs

Info

ID:	123220
PubChem CID:	50838028
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	424.120526
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	11.31
IP(EA), eV:	-8.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetamidophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC=CC(=C4)NC(=O)C

DOS

IR

Vibrations