Geometry & MOs

Info

ID:	427838
PubChem CID:	135164154
Reduced:	FO8C36H41 (1)
Stoich.:	AB8C36D41 (1)
Weight, g/mol:	530.216535
ΔH_f, kcal/mol:	-322.71
Dipole, Da:	2.08
IP(EA), eV:	-9.0(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[[3-(1-carboxyethoxy)benzoyl]amino]methyl]-4-methylphenyl]-3-(1,4-dimethylbenzotriazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=CC(=C2)OCCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO)C3=CC=C(C=C3)CCCCF

DOS

IR

Vibrations