Geometry & MOs

Info

ID:	56894
PubChem CID:	22394763
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	468.113727
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	1.07
IP(EA), eV:	-9.33(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-cyano-3,4-dihydroxy-1-(4-hydroxyphenyl)hexan-2-yl]-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(C(C(CC2=CC=CC=C2)N)O)O

DOS

IR

Vibrations