Geometry & MOs

Info

ID:	164959
PubChem CID:	74478401
Reduced:	NSO5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	448.106613
ΔH_f, kcal/mol:	-141.58
Dipole, Da:	8.73
IP(EA), eV:	-9.43(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

DOS

IR

Vibrations