Geometry & MOs

Info

ID:	89387
PubChem CID:	49961365
Reduced:	SN3O3C12H21 (1)
Stoich.:	AB3C3D12E21 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-144.25
Dipole, Da:	3.44
IP(EA), eV:	-8.58(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCCOC(=O)CC1C(=O)NCCN1C(=S)NCC

DOS

IR

Vibrations