Geometry & MOs

Info

ID:	56931
PubChem CID:	22394906
Reduced:	S2N3O7C19H27 (1)
Stoich.:	A2B3C7D19E27 (1)
Weight, g/mol:	516.265794
ΔH_f, kcal/mol:	-257.85
Dipole, Da:	4.89
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[3,4-dihydroxy-1-(4-hydroxyphenyl)-6-methylsulfanylhexan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations