Geometry & MOs

Info

ID:	235550
PubChem CID:	92710005
Reduced:	Cl2N3O3H21C26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	493.095997
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	4.85
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-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=C(C=C4)Cl)Cl)C5=CC=C(C=C5)OC

DOS

IR

Vibrations