Geometry & MOs

Info

ID:	395936
PubChem CID:	135026991
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	8.15
Dipole, Da:	4.18
IP(EA), eV:	-8.5(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7S,7aS)-2-(2-tert-butyl-3-hydroxyphenyl)-7-(3-hydroxyphenyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione

Drug info:

PubChemData

Smile

CC(C)NC(C1=CC2=C(C=C1)C3=C(S2)C(=O)NC4=CC=CC=C43)N

DOS

IR

Vibrations