Geometry & MOs

Info

ID:

97218

PubChem CID:

50028564

Reduced:

FN6O6C44H51 (1)

Stoich.:

AB6C6D44E51 (1)

Weight, g/mol:

782.335875

ΔHf, kcal/mol:

-252.07

Dipole, Da:

5.98

IP(EA), eV:

 -8.54(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-chlorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations