Geometry & MOs

Info

ID:	335979
PubChem CID:	127254986
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	6.3
IP(EA), eV:	-10.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCC(=O)OC)N1C=NN=N1

DOS

IR

Vibrations