Geometry & MOs

Info

ID:	335547
PubChem CID:	127254409
Reduced:	OS2N8C18H20 (1)
Stoich.:	AB2C8D18E20 (1)
Weight, g/mol:	361.106256
ΔH_f, kcal/mol:	124.1
Dipole, Da:	4.99
IP(EA), eV:	-8.41(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-methyl-2-(4-oxochromen-3-yl)-N-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC(CCSC)C2=NN=C3N2C=CC=C3)N4C=NN=N4)C

DOS

IR

Vibrations