Geometry & MOs

Info

ID:

106500

PubChem CID:

50165533

Reduced:

N3O3C20H25 (2)

Stoich.:

A3B3C20D25 (2)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-219.29

Dipole, Da:

6.97

IP(EA), eV:

 -8.67(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations