Geometry & MOs

Info

ID:	159053
PubChem CID:	57260081
Reduced:	SN3O6H17C18 (1)
Stoich.:	AB3C6D17E18 (1)
Weight, g/mol:	232.107259
ΔH_f, kcal/mol:	-183.8
Dipole, Da:	1.69
IP(EA), eV:	-8.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diaminomethylideneamino)-N-methylbenzimidazole-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=O)NS

DOS

IR

Vibrations