Geometry & MOs

Info

ID:	391027
PubChem CID:	135002323
Reduced:	SN2O3C32H40 (1)
Stoich.:	AB2C3D32E40 (1)
Weight, g/mol:	425.164046
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	5.12
IP(EA), eV:	-8.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,10bS)-1-(1H-indol-5-ylimino)-3-phenyl-3,10b-dihydropyrrolo[2,1-a]isoquinoline-2,2-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=C(C=CC(=C3C2=NC(C)(C)CC(C)(C)C)C)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations