Geometry & MOs

Info

ID:

117342

PubChem CID:

50599179

Reduced:

ClF2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

782.299489

ΔHf, kcal/mol:

-210.09

Dipole, Da:

7.26

IP(EA), eV:

 -8.87(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(4-fluorobenzoyl)amino]-4-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations