Geometry & MOs

Info

ID:	353185
PubChem CID:	127284365
Reduced:	SO2N3C21H37 (1)
Stoich.:	AB2C3D21E37 (1)
Weight, g/mol:	350.195405
ΔH_f, kcal/mol:	-136.6
Dipole, Da:	5.65
IP(EA), eV:	-8.77(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1CCC(CC1)C(=O)N2CCSCC2)N3CCCCC3

DOS

IR

Vibrations