Geometry & MOs

Info

ID:

147167

PubChem CID:

53786820

Reduced:

SCl2O4H16C24 (1)

Stoich.:

AB2C4D16E24 (1)

Weight, g/mol:

685.303953

ΔHf, kcal/mol:

-90.66

Dipole, Da:

5.55

IP(EA), eV:

 -9.41(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[2-[[3-(4-methoxycarbonylphenyl)-4-[3-(2-phenylethyl)phenyl]butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C=CC(=C2)O)S(=O)(=O)C3=C(C=C(C=C3)O)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations