Geometry & MOs

Info

ID:	133701
PubChem CID:	51576548
Reduced:	ClSN2O5H21C25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	380.152478
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	4.42
IP(EA), eV:	-8.91(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,7R,7aR)-4,7-diphenyl-2-pyridin-3-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C

DOS

IR

Vibrations