Geometry & MOs

Info

ID:	235549
PubChem CID:	92710004
Reduced:	ClN4O5H21C26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	493.095997
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	6.82
IP(EA), eV:	-8.73(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2NC3=CC=CC=C3N2[C@H]1C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C5=CC=C(C=C5)OC

DOS

IR

Vibrations