Geometry & MOs

Info

ID:

114649

PubChem CID:

50490713

Reduced:

ClO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

750.354111

ΔHf, kcal/mol:

-148.76

Dipole, Da:

4.32

IP(EA), eV:

 -8.79(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations