Geometry & MOs

Info

ID:	335528
PubChem CID:	127254390
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	16.55
Dipole, Da:	6.49
IP(EA), eV:	-8.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations