Geometry & MOs

Info

ID:

167478

PubChem CID:

74834083

Reduced:

SCl2N3O5C30H39 (1)

Stoich.:

AB2C3D5E30F39 (1)

Weight, g/mol:

624.193997

ΔHf, kcal/mol:

-256.17

Dipole, Da:

11.82

IP(EA), eV:

 -8.58(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[2-[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyclohexyloxy-N-methylsulfonylbenzamide;dihydrochloride

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)CCNCC(C3=CC=C(C=C3)N)O)OC4CCCCC4.Cl.Cl

DOS

IR

Vibrations