Geometry & MOs

Info

ID:	56910
PubChem CID:	22394857
Reduced:	SN3O7C21H31 (1)
Stoich.:	AB3C7D21E31 (1)
Weight, g/mol:	530.281444
ΔH_f, kcal/mol:	-275.07
Dipole, Da:	5.02
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[3,4-dihydroxy-1-(4-hydroxyphenyl)-7-methylsulfanylheptan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCCCC(C(C(CC1=CC=C(C=C1)O)NC(=O)C2=COC(=N2)N(C)S(=O)(=O)C)O)O

DOS

IR

Vibrations