Geometry & MOs

Info

ID:	121245
PubChem CID:	50760147
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-97.97
Dipole, Da:	5.49
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-methyl-2-oxo-3-propan-2-ylideneindol-5-yl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations