Geometry & MOs

Info

ID:

446929

PubChem CID:

135278865

Reduced:

NSO3C20H25 (1)

Stoich.:

ABC3D20E25 (1)

Weight, g/mol:

785.303177

ΔHf, kcal/mol:

-85.16

Dipole, Da:

4.87

IP(EA), eV:

 -8.57(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-5-[6-[4-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]pyridin-3-yl]oxy-2-(oxan-2-yl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)C(=O)COCC1=CC=C(C=C1)OC2=CC=CC(=C2)NC(C)S

DOS

IR

Vibrations