Geometry & MOs

Info

ID:

104986

PubChem CID:

50106096

Reduced:

ClF2O5N6C41H49 (1)

Stoich.:

AB2C5D6E41F49 (1)

Weight, g/mol:

738.310803

ΔHf, kcal/mol:

-295.55

Dipole, Da:

7.02

IP(EA), eV:

 -8.98(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C)Cl

DOS

IR

Vibrations