Geometry & MOs

Info

ID:	335471
PubChem CID:	127254333
Reduced:	SN2O6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-171.47
Dipole, Da:	9.23
IP(EA), eV:	-8.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCN(CC4)S(=O)(=O)C

DOS

IR

Vibrations