Geometry & MOs

Info

ID:

99611

PubChem CID:

50052255

Reduced:

ClFO3N4C31H34 (1)

Stoich.:

ABC3D4E31F34 (1)

Weight, g/mol:

708.324703

ΔHf, kcal/mol:

-147.84

Dipole, Da:

2.9

IP(EA), eV:

 -8.86(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-fluoro-3-(2-methylbutanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations