Geometry & MOs

Info

ID:	56927
PubChem CID:	22394899
Reduced:	S2N3O6C19H27 (1)
Stoich.:	A2B3C6D19E27 (1)
Weight, g/mol:	481.257671
ΔH_f, kcal/mol:	-231.87
Dipole, Da:	9.5
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations