Geometry & MOs

Info

ID:	121354
PubChem CID:	50764678
Reduced:	SN3O6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	461.14207
ΔH_f, kcal/mol:	-210.93
Dipole, Da:	2.46
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(3-fluorophenyl)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(=O)C

DOS

IR

Vibrations