Geometry & MOs

Info

ID:	395675
PubChem CID:	135026250
Reduced:	SN2O5C27H32 (1)
Stoich.:	AB2C5D27E32 (1)
Weight, g/mol:	379.118651
ΔH_f, kcal/mol:	-178.75
Dipole, Da:	4.71
IP(EA), eV:	-9.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-chlorocyclohexen-1-yl)-3-oxo-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(=O)SCC1C(N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)CCCCC(=O)OC

DOS

IR

Vibrations