Geometry & MOs

Info

ID:	225229
PubChem CID:	85752747
Reduced:	N4O5C26H28 (1)
Stoich.:	A4B5C26D28 (1)
Weight, g/mol:	392.158351
ΔH_f, kcal/mol:	-132.58
Dipole, Da:	1.11
IP(EA), eV:	-8.96(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-carboxyprop-2-enoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)N(C(=O)C(CC2=CC=C(C=C2)O)N)N)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations