Geometry & MOs

Info

ID:	363391
PubChem CID:	127310928
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	382.167477
ΔH_f, kcal/mol:	32.77
Dipole, Da:	8.07
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations