Geometry & MOs

Info

ID:	68818
PubChem CID:	46509151
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	7.01
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC(C1)C2=NC3=CC=CC=C3N2)NS(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations