Geometry & MOs

Info

ID:	201333
PubChem CID:	79526281
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	270.157957
ΔH_f, kcal/mol:	-129.62
Dipole, Da:	4.66
IP(EA), eV:	-9.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CNC(=O)CC2=CC=CS2)C(=O)O

DOS

IR

Vibrations