Geometry & MOs

Info

ID:	217577
PubChem CID:	85088036
Reduced:	NaSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	9.81
IP(EA), eV:	-7.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

Drug info:

PubChemData

Smile

CC1=CN=C2C(CCCCC2=C1OC)S(=O)C3=NC4=CC=CC=C4[N-]3.[Na+]

DOS

IR

Vibrations