Geometry & MOs

Info

ID:

167477

PubChem CID:

74833918

Reduced:

SN6O8C43H52 (1)

Stoich.:

AB6C8D43E52 (1)

Weight, g/mol:

623.198748

ΔHf, kcal/mol:

-111.83

Dipole, Da:

7.63

IP(EA), eV:

 -9.14(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyclohexyloxy-N-methylsulfonylbenzamide;dihydrochloride

Drug info:

PubChemData

Smile

CC1(CCCC=CC2=CC3=C(C=C2)N=C(C(=N3)OC4CC(N(C4)C(=O)C(NC(=O)O1)C(C)(C)C)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6CC6)C7=CC=CC=C7)C

DOS

IR

Vibrations