Geometry & MOs

Info

ID:	49535
PubChem CID:	11533197
Reduced:	N2O2H30C33 (1)
Stoich.:	A2B2C30D33 (1)
Weight, g/mol:	486.208947
ΔH_f, kcal/mol:	34.49
Dipole, Da:	4.2
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(1H-benzimidazol-2-yl)-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide

Drug info:

PubChemData

Smile

C=CC1CN2CC[C@@H]1C[C@@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)O)OC5=CC6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations