Geometry & MOs

Info

ID:	420996
PubChem CID:	135115178
Reduced:	NSCl2O5C12H13 (1)
Stoich.:	ABC2D5E12F13 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-206.52
Dipole, Da:	5.05
IP(EA), eV:	-10.29(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-1H-benzimidazol-2-yl)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations