Geometry & MOs

Info

ID:	188961
PubChem CID:	77794639
Reduced:	FO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	537.04146
ΔH_f, kcal/mol:	-280.71
Dipole, Da:	4.45
IP(EA), eV:	-9.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-aminoacetyl)-[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCC(O)OCC(CO)(C1=C(C=C(C=C1)F)F)O

DOS

IR

Vibrations