Geometry & MOs

Info

ID:

16722

PubChem CID:

476009

Reduced:

SN3O3C34H37 (1)

Stoich.:

AB3C3D34E37 (1)

Weight, g/mol:

567.255563

ΔHf, kcal/mol:

-75.62

Dipole, Da:

6.76

IP(EA), eV:

 -8.43(-0.71)

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]-2,3-dihydro-1H-indole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=C5CCNC5=CC=C4)O

DOS

IR

Vibrations