Geometry & MOs

Info

ID:

119852

PubChem CID:

50704806

Reduced:

ClF2O5N6C38H45 (1)

Stoich.:

AB2C5D6E38F45 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-286.45

Dipole, Da:

2.32

IP(EA), eV:

 -9.21(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations