Geometry & MOs

Info

ID:	352999
PubChem CID:	127284120
Reduced:	ClSN3O3C18H22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	3.48
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)C2CSCN2C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations