Geometry & MOs

Info

ID:	147697
PubChem CID:	53787354
Reduced:	NO2C24H33 (1)
Stoich.:	AB2C24D33 (1)
Weight, g/mol:	511.23185
ΔH_f, kcal/mol:	-65.65
Dipole, Da:	2.6
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(4-amino-2-methylbenzoyl)amino]methyl]-3-[1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclopentyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)OC(=CC2=CN=CC=C2)C(C(C)(C)C)O

DOS

IR

Vibrations