Geometry & MOs

Info

ID:	313845
PubChem CID:	126618213
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-154.38
Dipole, Da:	3.74
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]methylidene]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CC2=C(N=C1)N(CC2)S(=O)(=O)C3=CC=CC(=C3)OC

DOS

IR

Vibrations