Geometry & MOs

Info

ID:	370515
PubChem CID:	127339482
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	328.145678
ΔH_f, kcal/mol:	-48.69
Dipole, Da:	4.39
IP(EA), eV:	-9.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-(2-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)CCC2=C(N3C(=C(C=N3)C#N)N=C2C)C

DOS

IR

Vibrations