Geometry & MOs

Info

ID:	56921
PubChem CID:	22394890
Reduced:	SN3O6C21H27 (1)
Stoich.:	AB3C6D21E27 (1)
Weight, g/mol:	438.103162
ΔH_f, kcal/mol:	-165.59
Dipole, Da:	4.16
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyano-3,4-dihydroxy-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#C)O)O)S(=O)(=O)C

DOS

IR

Vibrations