Geometry & MOs

Info

ID:	335906
PubChem CID:	127254768
Reduced:	ClN2O4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	350.120132
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	4.17
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[(1-methylpyrrol-2-yl)methyl]-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

COC1=CN(C(=CC1=O)C(=O)NC2=CC(=CC=C2)Cl)CCO

DOS

IR

Vibrations