Geometry & MOs

Info

ID:

109095

PubChem CID:

50272567

Reduced:

F2N5O5C36H41 (1)

Stoich.:

A2B5C5D36E41 (1)

Weight, g/mol:

714.352969

ΔHf, kcal/mol:

-259.84

Dipole, Da:

6.51

IP(EA), eV:

 -9.11(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations