Geometry & MOs

Info

ID:

16489

PubChem CID:

470862

Reduced:

SO3N4C33H38 (1)

Stoich.:

AB3C4D33E38 (1)

Weight, g/mol:

570.266462

ΔHf, kcal/mol:

-85.84

Dipole, Da:

7.66

IP(EA), eV:

 -8.12(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-diamino-N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1N)N)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