Geometry & MOs

Info

ID:	121350
PubChem CID:	50764540
Reduced:	ClFSN3O5C21H21 (1)
Stoich.:	ABCD3E5F21G21 (1)
Weight, g/mol:	447.12642
ΔH_f, kcal/mol:	-217.2
Dipole, Da:	7.87
IP(EA), eV:	-9.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=C(C=C4)F)Cl)OCC(=O)N2

DOS

IR

Vibrations