Geometry & MOs

Info

ID:	77880
PubChem CID:	49666284
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-133.33
Dipole, Da:	4.29
IP(EA), eV:	-8.95(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C=CC=C(C2=O)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations