Geometry & MOs

Info

ID:	133397
PubChem CID:	51520753
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	420.075313
ΔH_f, kcal/mol:	-20.44
Dipole, Da:	7.27
IP(EA), eV:	-8.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)SCC(=O)NC[C@H]4CCCO4

DOS

IR

Vibrations