Geometry & MOs

Info

ID:	447232
PubChem CID:	135281353
Reduced:	ClO2N7C23H24 (1)
Stoich.:	AB2C7D23E24 (1)
Weight, g/mol:	438.345758
ΔH_f, kcal/mol:	36.05
Dipole, Da:	7.1
IP(EA), eV:	-8.0(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hexadecanoylamino)-6-(prop-2-enoylamino)hexanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CN3C=CC(=CC3=N2)N4CCN(CC4)C5=NC=CC(=N5)N)Cl)OC

DOS

IR

Vibrations