Geometry & MOs

Info

ID:	402394
PubChem CID:	135055825
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	7.91
IP(EA), eV:	-8.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1,3-dioxoisoindol-2-yl)-4-(3-methylbut-2-enyl)cyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3C[C@]3(C=C2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations