Geometry & MOs

Info

ID:

114976

PubChem CID:

50504221

Reduced:

F2N6O6C39H40 (1)

Stoich.:

A2B6C6D39E40 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-263.15

Dipole, Da:

5.0

IP(EA), eV:

 -8.64(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[1-[2-[(2-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations