Geometry & MOs

Info

ID:	364286
PubChem CID:	127315385
Reduced:	SN3O5C18H29 (1)
Stoich.:	AB3C5D18E29 (1)
Weight, g/mol:	399.182792
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	4.23
IP(EA), eV:	-9.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-(cyclopropylamino)-2-oxoethyl]-1-N-(1,1-dioxothiolan-3-yl)-2-N-methylcyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

DOS

IR

Vibrations