Geometry & MOs

Info

ID:

437200

PubChem CID:

135215773

Reduced:

O3F6N6C32H32 (1)

Stoich.:

A3B6C6D32E32 (1)

Weight, g/mol:

1009.413852

ΔHf, kcal/mol:

-298.81

Dipole, Da:

4.06

IP(EA), eV:

 -9.03(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-2-[4-[5-(4-methoxyphenyl)-6-[(1S)-2-phenyl-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]phenyl]-1-[3-(4-methoxyphenyl)pyridin-2-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

C/C(=C(\C=C/C(=C)C1=C(N=CC=C1)[C@H](CC2=CC(=CC(=C2)F)F)NC(=O)CN3C=C(C(=N3)C(F)(F)F)CN4CCOCC4)/F)/C(=O)N

DOS

IR

Vibrations