Geometry & MOs

Info

ID:

98101

PubChem CID:

50039677

Reduced:

FN4O4C31H35 (1)

Stoich.:

AB4C4D31E35 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-168.46

Dipole, Da:

13.14

IP(EA), eV:

 -8.64(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations