Geometry & MOs

Info

ID:	189623
PubChem CID:	77882594
Reduced:	N2O5H28C32 (1)
Stoich.:	A2B5C28D32 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	8.9
IP(EA), eV:	-9.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CCOC2=CC=C(C=C2)C#N)(C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)O

DOS

IR

Vibrations