Geometry & MOs

Info

ID:

188196

PubChem CID:

77680952

Reduced:

F3N3O3C24H32 (1)

Stoich.:

A3B3C3D24E32 (1)

Weight, g/mol:

672.265142

ΔHf, kcal/mol:

-304.41

Dipole, Da:

2.61

IP(EA), eV:

 -9.38(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[3-(cyclohexylmethylsulfanyl)-1-[(2-hydroxybenzoyl)amino]-4-(4-nitrophenyl)butan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1C(CC(C(=O)N1)C(=O)N(CC2CCCCC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)N(C)C

DOS

IR

Vibrations