Geometry & MOs

Info

ID:	62688
PubChem CID:	26736205
Reduced:	SN3O4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	434.093643
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	4.14
IP(EA), eV:	-8.41(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC4=CC=CC=C4C#N

DOS

IR

Vibrations