Geometry & MOs

Info

ID:	161965
PubChem CID:	57393188
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	394.131742
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	3.83
IP(EA), eV:	-8.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-prop-2-ynylspiro[15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraene-16,3'-indole]-2,2',9-trione

Drug info:

PubChemData

Smile

CCCCCCN1C[C@@H]2[C@H](C1)C2(C)C3=CC(=CC=C3)NS(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations