Geometry & MOs

Info

ID:	379029
PubChem CID:	134228941
Reduced:	ClO2N5H14C19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	376.099397
ΔH_f, kcal/mol:	97.17
Dipole, Da:	1.37
IP(EA), eV:	-9.55(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]-N-oxo-2-pyridin-3-ylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)CN2C(=C(N=C2C3=CN=CC(=C3)C#N)C)C(=O)N=O

DOS

IR

Vibrations