Geometry & MOs

Info

ID:	60598
PubChem CID:	26697251
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-123.31
Dipole, Da:	1.98
IP(EA), eV:	-8.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-ethylphenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

DOS

IR

Vibrations