Geometry & MOs

Info

ID:	161099
PubChem CID:	57390760
Reduced:	Cl2F3N6H25C27 (1)
Stoich.:	A2B3C6D25E27 (1)
Weight, g/mol:	454.203862
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	10.27
IP(EA), eV:	-8.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-tert-butyl-5-pyridin-4-ylsulfonylbenzimidazol-1-yl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C2=NC=NC(=C2)N3CCCC(C3)C4=CC=CC=C4C(F)(F)F)C5=NC6=CC(=C(C=C6N5)Cl)Cl

DOS

IR

Vibrations