Geometry & MOs

Info

ID:	343441
PubChem CID:	127266614
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	317.156184
ΔH_f, kcal/mol:	-177.62
Dipole, Da:	3.78
IP(EA), eV:	-9.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(thietan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(NC(=O)S1)C(=O)N2CCC(CC2)CC(=O)OC

DOS

IR

Vibrations