Geometry & MOs

Info

ID:	340236
PubChem CID:	127262245
Reduced:	SN3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	220.078268
ΔH_f, kcal/mol:	85.84
Dipole, Da:	6.33
IP(EA), eV:	-9.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-cyano-N-(2-pyridin-2-ylethyl)carbamimidothioate

Drug info:

PubChemData

Smile

CSC(=N)N(CC1=CC=CC=C1)C#N

DOS

IR

Vibrations