Geometry & MOs

Info

ID:	56903
PubChem CID:	22394809
Reduced:	S2N3O6C18H25 (1)
Stoich.:	A2B3C6D18E25 (1)
Weight, g/mol:	455.154863
ΔH_f, kcal/mol:	-214.99
Dipole, Da:	4.08
IP(EA), eV:	-9.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydroxy-1-phenylnonan-2-yl)-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COCCC(C(C(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)NS(=O)(=O)C)O)O

DOS

IR

Vibrations