Geometry & MOs

Info

ID:	413912
PubChem CID:	135086863
Reduced:	NSO2C22H23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	393.190421
ΔH_f, kcal/mol:	41.61
Dipole, Da:	5.26
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-difluorophenyl)ethynyl]-1-(2-ethylhexyl)indole-3-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCC#CC1=CC=CC=C1N(C#C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations