Geometry & MOs

Info

ID:

99561

PubChem CID:

50051395

Reduced:

ClO4F5N5C33H33 (1)

Stoich.:

AB4C5D5E33F33 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-381.79

Dipole, Da:

11.31

IP(EA), eV:

 -8.9(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations