Geometry & MOs

Info

ID:	47053
PubChem CID:	10529198
Reduced:	N3O3C31H31 (1)
Stoich.:	A3B3C31D31 (1)
Weight, g/mol:	493.22845
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	6.01
IP(EA), eV:	-9.0(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-4-(2,5-dimethoxyphenyl)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)C5CCC(=CC5)CO

DOS

IR

Vibrations