Geometry & MOs

Info

ID:	309416
PubChem CID:	126546115
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	311.155515
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	2.25
IP(EA), eV:	-8.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 4-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexane-1-carbothioate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(O3)NC(=O)NC4=CC(=C(C=C4)N)SN

DOS

IR

Vibrations