Geometry & MOs

Info

ID:	235534
PubChem CID:	92709961
Reduced:	N4O4H20C25 (1)
Stoich.:	A4B4C20D25 (1)
Weight, g/mol:	440.148455
ΔH_f, kcal/mol:	24.06
Dipole, Da:	6.09
IP(EA), eV:	-8.68(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(2-nitrophenyl)-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=C4[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations