Geometry & MOs

Info

ID:	336442
PubChem CID:	127255449
Reduced:	ClON2C9H15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	560.252252
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	2.44
IP(EA), eV:	-8.77(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)methyl-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CCO)N)N.Cl

DOS

IR

Vibrations