Geometry & MOs

Info

ID:

113673

PubChem CID:

50454367

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

784.319618

ΔHf, kcal/mol:

-261.29

Dipole, Da:

3.25

IP(EA), eV:

 -8.17(-0.41)

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-[3-[(4-fluorobenzoyl)amino]-4-methoxyphenyl]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=C5)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations