Geometry & MOs

Info

ID:	206738
PubChem CID:	80292447
Reduced:	SN3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	211.077933
ΔH_f, kcal/mol:	23.92
Dipole, Da:	2.8
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-2-ylmethyl)imidazole-2-carbothioamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CN=C2C(=S)N

DOS

IR

Vibrations