Geometry & MOs

Info

ID:	56914
PubChem CID:	22394861
Reduced:	SN4O6C20H26 (1)
Stoich.:	AB4C6D20E26 (1)
Weight, g/mol:	440.082427
ΔH_f, kcal/mol:	-152.96
Dipole, Da:	3.0
IP(EA), eV:	-9.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=NC(=CO1)C(=O)NC(CC2=CC=NC=C2)C(C(CCCC#C)O)O)S(=O)(=O)C

DOS

IR

Vibrations