Geometry & MOs

Info

ID:	235553
PubChem CID:	92710010
Reduced:	N3O5H27C28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	485.195071
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	6.98
IP(EA), eV:	-8.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(2,5-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)OC)OC)C5=CC=C(C=C5)OC

DOS

IR

Vibrations