Geometry & MOs

Info

ID:

446712

PubChem CID:

135277110

Reduced:

F2N3O3C30H37 (1)

Stoich.:

A2B3C3D30E37 (1)

Weight, g/mol:

549.227298

ΔHf, kcal/mol:

-174.16

Dipole, Da:

5.4

IP(EA), eV:

 -8.32(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2,4-difluoro-3-[(1R,3R)-3-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethyl]-3-fluoropropan-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC3(CCC3)C(=O)O)C4=C(C=CC(=C4C)OCCNCCCF)F)NC5=CC=CC=C25

DOS

IR

Vibrations