Geometry & MOs

Info

ID:

116064

PubChem CID:

50545389

Reduced:

ClFO5N6C39H48 (1)

Stoich.:

ABC5D6E39F48 (1)

Weight, g/mol:

738.310803

ΔHf, kcal/mol:

-247.37

Dipole, Da:

9.48

IP(EA), eV:

 -9.06(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations