Geometry & MOs

Info

ID:	13647
PubChem CID:	396495
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-176.38
Dipole, Da:	1.84
IP(EA), eV:	-9.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations