Geometry & MOs

Info

ID:	63397
PubChem CID:	26758240
Reduced:	SO4N5C22H29 (1)
Stoich.:	AB4C5D22E29 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	4.36
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

DOS

IR

Vibrations