Geometry & MOs

Info

ID:	56923
PubChem CID:	22394894
Reduced:	N3O4C28H37 (1)
Stoich.:	A3B4C28D37 (1)
Weight, g/mol:	495.273321
ΔH_f, kcal/mol:	-145.31
Dipole, Da:	5.36
IP(EA), eV:	-9.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(CCC#N)O)O)C

DOS

IR

Vibrations