Geometry & MOs

Info

ID:	315603
PubChem CID:	126628090
Reduced:	SN2O3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	312.957645
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	8.61
IP(EA), eV:	-9.4(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloro-1-pyrimido[1,2-a]benzimidazol-2-ylethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)SC3=NC(=CN23)C(=O)O

DOS

IR

Vibrations