Geometry & MOs

Info

ID:	368746
PubChem CID:	127329997
Reduced:	SO2N4C18H30 (1)
Stoich.:	AB2C4D18E30 (1)
Weight, g/mol:	285.151098
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	3.08
IP(EA), eV:	-8.59(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylcyclohexyl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC3CCCC(C3)SC)C

DOS

IR

Vibrations