Geometry & MOs

Info

ID:	420642
PubChem CID:	135114563
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	6.47
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[3-(1-methylbenzimidazol-2-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N[C@@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations