Geometry & MOs

Info

ID:	359313
PubChem CID:	127298245
Reduced:	OSN2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-9.06
Dipole, Da:	2.92
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C4N3CCCC4

DOS

IR

Vibrations