Geometry & MOs

Info

ID:	84194
PubChem CID:	49864935
Reduced:	OCl2N6H20C26 (1)
Stoich.:	AB2C6D20E26 (1)
Weight, g/mol:	463.163102
ΔH_f, kcal/mol:	105.16
Dipole, Da:	5.73
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-[2-(5-methylnaphthalen-1-yl)acetyl]oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C3N2N=C(C=C3)NCC4=CC(=C(C=C4)Cl)Cl)C(=O)NCC5=CC=NC=C5

DOS

IR

Vibrations