Geometry & MOs

Info

ID:

176945

PubChem CID:

76116305

Reduced:

N4O7C34H42 (1)

Stoich.:

A4B7C34D42 (1)

Weight, g/mol:

613.224657

ΔHf, kcal/mol:

-237.07

Dipole, Da:

2.51

IP(EA), eV:

 -9.25(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[1-hydroxy-2-[[1-hydroxy-3-(4-quinolin-2-yloxyphenyl)propan-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(C(=O)C1CCCN1C(C(C)C)C(=O)C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)C(=O)OC(C)(C)C)N

DOS

IR

Vibrations