Geometry & MOs

Info

ID:	130174
PubChem CID:	51075146
Reduced:	OSN2C7H12 (2)
Stoich.:	ABC2D7E12 (2)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	8.33
IP(EA), eV:	-8.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-3-methylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=S)N1C2CC2)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations