Geometry & MOs

Info

ID:	315876
PubChem CID:	126629228
Reduced:	SCl2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	497.069875
ΔH_f, kcal/mol:	25.99
Dipole, Da:	1.0
IP(EA), eV:	-8.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[3-(difluoromethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)CSC2=C(C=CC(=C2)N)Cl)Cl

DOS

IR

Vibrations