Geometry & MOs

Info

ID:	348812
PubChem CID:	127274460
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-125.18
Dipole, Da:	4.56
IP(EA), eV:	-8.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)CN3CCCCC3=O

DOS

IR

Vibrations