Geometry & MOs

Info

ID:	72214
PubChem CID:	48415932
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	12.46
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-butyl-N-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)CS(=O)(=O)C

DOS

IR

Vibrations