Geometry & MOs

Info

ID:	56917
PubChem CID:	22394877
Reduced:	SN2O4C29H42 (1)
Stoich.:	AB2C4D29E42 (1)
Weight, g/mol:	445.097742
ΔH_f, kcal/mol:	-180.67
Dipole, Da:	3.4
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-1-(4-hydroxyphenyl)-5-methoxypentan-2-yl]-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(CCCSC)O)O)C

DOS

IR

Vibrations