Geometry & MOs

Info

ID:	283745
PubChem CID:	104003389
Reduced:	N2S2O3C11H20 (1)
Stoich.:	A2B2C3D11E20 (1)
Weight, g/mol:	298.189257
ΔH_f, kcal/mol:	-154.62
Dipole, Da:	5.89
IP(EA), eV:	-9.03(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)NCC1CSCCS1

DOS

IR

Vibrations