Geometry & MOs

Info

ID:	359757
PubChem CID:	127299704
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	399.128649
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	6.8
IP(EA), eV:	-8.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,1-dioxothiolan-3-yl)-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)N3CCN(CC3)CCC4=CC=CS4

DOS

IR

Vibrations