Geometry & MOs

Info

ID:	180872
PubChem CID:	76698493
Reduced:	Cl2N2O3H26C27 (1)
Stoich.:	A2B2C3D26E27 (1)
Weight, g/mol:	343.108959
ΔH_f, kcal/mol:	-92.33
Dipole, Da:	4.91
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methylsulfonylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(C=C4CNCCC4=C3Cl)Cl

DOS

IR

Vibrations