Geometry & MOs

Info

ID:	336507
PubChem CID:	127255514
Reduced:	N4O11H26C34 (1)
Stoich.:	A4B11C26D34 (1)
Weight, g/mol:	347.069114
ΔH_f, kcal/mol:	-252.27
Dipole, Da:	7.7
IP(EA), eV:	-9.22(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5C6=C(OC(=O)O6)C)C(=O)OCC7=C(OC(=O)O7)C

DOS

IR

Vibrations