Geometry & MOs

Info

ID:

113783

PubChem CID:

50458307

Reduced:

F4O4N5C34H37 (1)

Stoich.:

A4B4C5D34E37 (1)

Weight, g/mol:

752.326453

ΔHf, kcal/mol:

-313.86

Dipole, Da:

7.26

IP(EA), eV:

 -8.87(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)F)F)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations