Geometry & MOs

Info

ID:	313846
PubChem CID:	126618214
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	390.088557
ΔH_f, kcal/mol:	-150.95
Dipole, Da:	5.73
IP(EA), eV:	-8.9(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations