Geometry & MOs

Info

ID:	235551
PubChem CID:	92710006
Reduced:	Cl2N3O3H21C26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	485.195071
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	5.24
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(3,4-dimethoxyphenyl)-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