Geometry & MOs

Info

ID:

109578

PubChem CID:

50289274

Reduced:

ClF2N6O6C38H43 (1)

Stoich.:

AB2C6D6E38F43 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-308.48

Dipole, Da:

14.13

IP(EA), eV:

 -8.78(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations