Geometry & MOs

Info

ID:	235524
PubChem CID:	92709919
Reduced:	ClO3N5H18C24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	413.153955
ΔH_f, kcal/mol:	56.83
Dipole, Da:	6.06
IP(EA), eV:	-8.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(4-fluorophenyl)-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C([C@H](N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5Cl

DOS

IR

Vibrations