Geometry & MOs

Info

ID:

16488

PubChem CID:

470860

Reduced:

SN2O4C33H36 (1)

Stoich.:

AB2C4D33E36 (1)

Weight, g/mol:

556.239579

ΔHf, kcal/mol:

-126.48

Dipole, Da:

4.43

IP(EA), eV:

 -8.36(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC3=CC=CC=C3C=C2)[C@@H](CC4=CC=CC=C4C(=O)NC(C)(C)C)O

DOS

IR

Vibrations