Geometry & MOs

Info

ID:	21777
PubChem CID:	589872
Reduced:	SN2O2Cl3C6H7 (1)
Stoich.:	AB2C2D3E6F7 (1)
Weight, g/mol:	275.929382
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	3.43
IP(EA), eV:	-9.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(2,2,2-trichloro-1-isothiocyanatoethyl)carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC(C(Cl)(Cl)Cl)N=C=S

DOS

IR

Vibrations