Geometry & MOs

Info

ID:	440223
PubChem CID:	135230141
Reduced:	ON8C26H34 (1)
Stoich.:	AB8C26D34 (1)
Weight, g/mol:	692.11449
ΔH_f, kcal/mol:	34.27
Dipole, Da:	7.38
IP(EA), eV:	-8.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(3-bromophenyl)methyl]-4-N-[(4-chlorophenyl)methyl]-1-N-(cyclohexylmethyl)-4-N-cyclopentylbenzene-1,4-disulfonamide

Drug info:

PubChemData

Smile

C[C@H]1C(CN(C1CNC)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCC6)C

DOS

IR

Vibrations