Geometry & MOs

Info

ID:	56922
PubChem CID:	22394893
Reduced:	S2N4O5C18H22 (1)
Stoich.:	A2B4C5D18E22 (1)
Weight, g/mol:	479.278407
ΔH_f, kcal/mol:	-144.94
Dipole, Da:	5.3
IP(EA), eV:	-9.63(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)C(C(CCC#N)O)O

DOS

IR

Vibrations