Geometry & MOs

Info

ID:	348856
PubChem CID:	127274504
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-149.04
Dipole, Da:	2.52
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations