Geometry & MOs

Info

ID:	134157
PubChem CID:	51655458
Reduced:	ClO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	2.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.094382
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@H](C(=O)NCC[NH+]1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations