Geometry & MOs

Info

ID:	44541
PubChem CID:	10503961
Reduced:	O3N5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	455.149903
ΔH_f, kcal/mol:	-118.2
Dipole, Da:	3.57
IP(EA), eV:	-8.47(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-1-(4-fluorophenyl)-4-trimethylsilylbut-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1N2CCN(CC2)CCCCN3CC(=O)N4CCCC4C3=O

DOS

IR

Vibrations