Geometry & MOs

Info

ID:	133398
PubChem CID:	51520754
Reduced:	NSO8H18C19 (1)
Stoich.:	ABC8D18E19 (1)
Weight, g/mol:	434.090963
ΔH_f, kcal/mol:	-228.09
Dipole, Da:	6.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.983422
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)[O-]

DOS

IR

Vibrations