Geometry & MOs

Info

ID:	121353
PubChem CID:	50764677
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	485.162057
ΔH_f, kcal/mol:	-197.95
Dipole, Da:	2.24
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=CC(=C4)C)C

DOS

IR

Vibrations