Geometry & MOs

Info

ID:	1034
PubChem CID:	3692
Reduced:	SN4C6H10 (1)
Stoich.:	AB4C6D10 (1)
Weight, g/mol:	170.062618
ΔH_f, kcal/mol:	44.07
Dipole, Da:	4.66
IP(EA), eV:	-9.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-imidazol-5-yl)ethyl carbamimidothioate

Drug info:

PubChemData

Smile

C1=C(NC=N1)CCSC(=N)N

DOS

IR

Vibrations