Geometry & MOs

Info

ID:	348818
PubChem CID:	127274466
Reduced:	N2S2O4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-157.71
Dipole, Da:	4.49
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations