Geometry & MOs

Info

ID:	164953
PubChem CID:	74478021
Reduced:	NSO8C20H21 (1)
Stoich.:	ABC8D20E21 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-263.6
Dipole, Da:	7.61
IP(EA), eV:	-9.24(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[3-[4-(diethylamino)phenyl]prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)O

DOS

IR

Vibrations