Geometry & MOs

Info

ID:

188825

PubChem CID:

77771307

Reduced:

ClSN6O7C25H35 (1)

Stoich.:

ABC6D7E25F35 (1)

Weight, g/mol:

628.365842

ΔHf, kcal/mol:

-269.06

Dipole, Da:

7.53

IP(EA), eV:

 -8.73(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-(1-phenylethyl)-2-(1,3-thiazol-2-ylmethyl)butanediamide

Drug info:

PubChemData

Smile

COC(=O)C(CO)NC(=O)C(CC(=O)NCC1CCCN(C1)C=NN)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2.Cl

DOS

IR

Vibrations