Geometry & MOs

Info

ID:	187065
PubChem CID:	77527738
Reduced:	ClN5O6C21H28 (1)
Stoich.:	AB5C6D21E28 (1)
Weight, g/mol:	382.090719
ΔH_f, kcal/mol:	-230.86
Dipole, Da:	4.33
IP(EA), eV:	-9.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1CCCC(C1)N2CCOC2=O)NC(=O)C(=O)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations