Geometry & MOs

Info

ID:	348814
PubChem CID:	127274462
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	6.87
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-2-oxopiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3CCOC3

DOS

IR

Vibrations