Geometry & MOs

Info

ID:

108332

PubChem CID:

50241702

Reduced:

F4N5O5C36H41 (1)

Stoich.:

A4B5C5D36E41 (1)

Weight, g/mol:

746.36034

ΔHf, kcal/mol:

-391.01

Dipole, Da:

6.44

IP(EA), eV:

 -8.8(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methoxyphenyl]-1-[1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations