Geometry & MOs

Info

ID:	313788
PubChem CID:	126617724
Reduced:	SN4O4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	335.101839
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	12.47
IP(EA), eV:	-8.91(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)NC(=O)C2=CN3C4=C(C=C(C=C4)OC)SC3=N2)C(=O)O

DOS

IR

Vibrations