Geometry & MOs

Info

ID:

113114

PubChem CID:

50431294

Reduced:

FN6O6C42H45 (1)

Stoich.:

AB6C6D42E45 (1)

Weight, g/mol:

748.374847

ΔHf, kcal/mol:

-222.03

Dipole, Da:

4.18

IP(EA), eV:

 -8.16(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations