Geometry & MOs

Info

ID:

113669

PubChem CID:

50454363

Reduced:

F3N6O6C42H43 (1)

Stoich.:

A3B6C6D42E43 (1)

Weight, g/mol:

780.34469

ΔHf, kcal/mol:

-288.65

Dipole, Da:

6.67

IP(EA), eV:

 -8.06(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5F)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations