Geometry & MOs

Info

ID:	184962
PubChem CID:	77235056
Reduced:	FO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	347.140259
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	3.0
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfanyl-3-(1-propanoyloxyethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(NNC1C2=C(C=CC=C2F)C#N)C

DOS

IR

Vibrations