Geometry & MOs

Info

ID:	235527
PubChem CID:	92709950
Reduced:	ClO2N3H20C25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	413.153955
ΔH_f, kcal/mol:	16.81
Dipole, Da:	4.74
IP(EA), eV:	-8.57(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(3-fluorophenyl)-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)Cl)C5=CC=CC=C5

DOS

IR

Vibrations