Geometry & MOs

Info

ID:

116034

PubChem CID:

50544410

Reduced:

ClFO5N6C35H46 (1)

Stoich.:

ABC5D6E35F46 (1)

Weight, g/mol:

752.326453

ΔHf, kcal/mol:

-267.83

Dipole, Da:

9.2

IP(EA), eV:

 -8.93(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC(C4)C)F

DOS

IR

Vibrations