Geometry & MOs

Info

ID:

107965

PubChem CID:

50225421

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-191.23

Dipole, Da:

11.04

IP(EA), eV:

 -8.92(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-methyl-3-[(4-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations