Geometry & MOs

Info

ID:

113509

PubChem CID:

50448967

Reduced:

FO4N5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-200.8

Dipole, Da:

4.15

IP(EA), eV:

 -8.94(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations