Geometry & MOs

Info

ID:	56898
PubChem CID:	22394797
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	457.134128
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	3.07
IP(EA), eV:	-8.78(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydroxy-6-methoxy-1-phenylhexan-2-yl)-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CSCCC(C(C(CC1=CC=CC=C1)N)O)O

DOS

IR

Vibrations