Geometry & MOs

Info

ID:

97185

PubChem CID:

50028398

Reduced:

FO5N6C44H51 (1)

Stoich.:

AB5C6D44E51 (1)

Weight, g/mol:

782.335875

ΔHf, kcal/mol:

-218.95

Dipole, Da:

7.09

IP(EA), eV:

 -8.25(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-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=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)C

DOS

IR

Vibrations