Geometry & MOs

Info

ID:	174900
PubChem CID:	75827616
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	362.13521
ΔH_f, kcal/mol:	-86.34
Dipole, Da:	3.66
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-hydroxy-5-methyl-2,4-bis(methylcarbamoyl)-3-(3-nitrophenyl)cyclohexen-1-olate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2CC(=O)N=C(C2C#N)SCC(=O)OC(C)C

DOS

IR

Vibrations