Geometry & MOs

Info

ID:	121349
PubChem CID:	50764539
Reduced:	FSN3O5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	481.087448
ΔH_f, kcal/mol:	-218.71
Dipole, Da:	7.86
IP(EA), eV:	-8.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3C)NC(=O)CO4)F

DOS

IR

Vibrations