Geometry & MOs

Info

ID:	348817
PubChem CID:	127274465
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	382.1021
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	8.42
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3CCCN(C3)C(=O)C

DOS

IR

Vibrations