Geometry & MOs

Info

ID:	179576
PubChem CID:	76502240
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-8.35
Dipole, Da:	5.17
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-2-phenylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C1C(NC(=S)NC1=O)C2=CC=CC=C2)N3CCNCC3

DOS

IR

Vibrations