Geometry & MOs

Info

ID:	132946
PubChem CID:	51450165
Reduced:	SN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	340.075587
ΔH_f, kcal/mol:	-3.5
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124741
Charge, e:	-1

Chem-info

IUPAC name:

(3R,4S)-3-ethoxycarbonyl-4-thiophen-2-yl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-olate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](N2C3=CC=CC=C3N=C2N=C1[O-])C4=CC=CS4

DOS

IR

Vibrations