Geometry & MOs

Info

ID:

96476

PubChem CID:

50021477

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

764.369761

ΔHf, kcal/mol:

-196.63

Dipole, Da:

7.67

IP(EA), eV:

 -8.68(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-methoxy-3-[(3-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations