Geometry & MOs

Info

ID:	122314
PubChem CID:	50802101
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	394.119654
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	2.75
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations