Geometry & MOs

Info

ID:

95355

PubChem CID:

50008626

Reduced:

ClFO4N5C26H31 (1)

Stoich.:

ABC4D5E26F31 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-202.72

Dipole, Da:

10.71

IP(EA), eV:

 -8.97(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,4-difluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations