Geometry & MOs

Info

ID:	335491
PubChem CID:	127254353
Reduced:	O4N5H17C20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	376.099397
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	11.69
IP(EA), eV:	-8.84(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]benzamide

Drug info:

PubChemData

Smile

COCCN1C(=O)C2=C(C=CC(=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O)N=N1

DOS

IR

Vibrations