Geometry & MOs

Info

ID:	56902
PubChem CID:	22394803
Reduced:	SN4O6C20H26 (1)
Stoich.:	AB4C6D20E26 (1)
Weight, g/mol:	443.118478
ΔH_f, kcal/mol:	-187.49
Dipole, Da:	5.31
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydroxy-6-methoxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations