Geometry & MOs

Info

ID:

100833

PubChem CID:

50064084

Reduced:

FN6O6C41H53 (1)

Stoich.:

AB6C6D41E53 (1)

Weight, g/mol:

770.416712

ΔHf, kcal/mol:

-293.78

Dipole, Da:

10.05

IP(EA), eV:

 -8.14(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)OC

DOS

IR

Vibrations