Geometry & MOs

Info

ID:	148660
PubChem CID:	53788328
Reduced:	FO4N6H27C30 (1)
Stoich.:	AB4C6D27E30 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	2.69
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(naphthalene-2-carbonylamino)-5-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC4=CC=CO4)C5=CC=C(C=C5)F)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations