Geometry & MOs

Info

ID:

113351

PubChem CID:

50440708

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

766.329039

ΔHf, kcal/mol:

-266.07

Dipole, Da:

12.63

IP(EA), eV:

 -8.87(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2-methoxybenzoyl)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=CC(=C4)NC(=O)C5=CC(=CC=C5)OC)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations