Geometry & MOs

Info

ID:

105850

PubChem CID:

50140150

Reduced:

ClF2N6O6C36H39 (1)

Stoich.:

AB2C6D6E36F39 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-295.31

Dipole, Da:

11.0

IP(EA), eV:

 -9.14(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations