Geometry & MOs

Info

ID:	180832
PubChem CID:	76693058
Reduced:	NO2C24H37 (1)
Stoich.:	AB2C24D37 (1)
Weight, g/mol:	393.189986
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	2.0
IP(EA), eV:	-9.51(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydroxypropan-2-yl 4-(hex-3-enoylamino)-2-(pyridine-3-carbonylamino)butanoate

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NC(C)C(=O)C

DOS

IR

Vibrations