Geometry & MOs

Info

ID:

96108

PubChem CID:

50018940

Reduced:

FCl2O4N5C35H40 (1)

Stoich.:

AB2C4D5E35F40 (1)

Weight, g/mol:

649.283111

ΔHf, kcal/mol:

-199.27

Dipole, Da:

2.59

IP(EA), eV:

 -8.94(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations