Geometry & MOs

Info

ID:	335870
PubChem CID:	127254732
Reduced:	SN4O4C24H24 (1)
Stoich.:	AB4C4D24E24 (1)
Weight, g/mol:	427.146681
ΔH_f, kcal/mol:	-112.1
Dipole, Da:	3.25
IP(EA), eV:	-9.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCNC(=O)C3=NC4=CC=CC=C4S3)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations