Geometry & MOs

Info

ID:	54680
PubChem CID:	17389090
Reduced:	SO4N5H15C22 (1)
Stoich.:	AB4C5D15E22 (1)
Weight, g/mol:	535.116169
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	7.24
IP(EA), eV:	-9.11(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylacetyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)N)C#N

DOS

IR

Vibrations