Geometry & MOs

Info

ID:	235557
PubChem CID:	92710024
Reduced:	ClN3O3H22C26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	439.189592
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	5.21
IP(EA), eV:	-8.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-2-(4-methoxyphenyl)-4-(4-methylphenyl)-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=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC

DOS

IR

Vibrations