Geometry & MOs

Info

ID:	235530
PubChem CID:	92709955
Reduced:	O2N3H23C26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	18.85
Dipole, Da:	3.07
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(2-methylphenyl)-2-phenyl-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=CC=C4C)C5=CC=CC=C5

DOS

IR

Vibrations