Geometry & MOs

Info

ID:	2002
PubChem CID:	5543
Reduced:	NOSCl3C10H16 (1)
Stoich.:	ABCD3E10F16 (1)
Weight, g/mol:	303.001818
ΔH_f, kcal/mol:	-81.31
Dipole, Da:	4.1
IP(EA), eV:	-9.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl

DOS

IR

Vibrations