Geometry & MOs

Info

ID:	85743
PubChem CID:	49878667
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	348.133474
ΔH_f, kcal/mol:	-76.45
Dipole, Da:	4.62
IP(EA), eV:	-8.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-5-oxo-4H-imidazol-2-yl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CC(=O)N4CSCC4C3=O

DOS

IR

Vibrations