Geometry & MOs

Info

ID:	148980
PubChem CID:	53788651
Reduced:	O7C15H16 (1)
Stoich.:	A7B15C16 (1)
Weight, g/mol:	426.099791
ΔH_f, kcal/mol:	-272.7
Dipole, Da:	5.01
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]pyridin-2-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OC3[C@@H]([C@H]([C@@H](O3)CO)O)O

DOS

IR

Vibrations