Geometry & MOs

Info

ID:

110171

PubChem CID:

50314394

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-211.43

Dipole, Da:

5.33

IP(EA), eV:

 -8.7(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)F)C(=O)N(C)C

DOS

IR

Vibrations