Geometry & MOs

Info

ID:	10513
PubChem CID:	103630
Reduced:	S2N5C10H15 (1)
Stoich.:	A2B5C10D15 (1)
Weight, g/mol:	269.076888
ΔH_f, kcal/mol:	73.02
Dipole, Da:	7.3
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CSCCN=C(NC#N)SC

DOS

IR

Vibrations