Geometry & MOs

Info

ID:	215001
PubChem CID:	85083978
Reduced:	PSF2N6O7C28H31 (1)
Stoich.:	ABC2D6E7F28G31 (1)
Weight, g/mol:	664.257337
ΔH_f, kcal/mol:	-346.04
Dipole, Da:	6.15
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetamido-2-phenylethyl) 1-[2-(2-acetamido-2-phenylethoxy)carbonylnaphthalen-1-yl]naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=NC=C(S3)CC(=O)NC4=C(C(=CC=C4)F)F)OCCCN5CCCC5COP(=O)(O)O

DOS

IR

Vibrations