Geometry & MOs

Info

ID:

97819

PubChem CID:

50035390

Reduced:

ClF2O4N5C36H40 (1)

Stoich.:

AB2C4D5E36F40 (1)

Weight, g/mol:

651.242389

ΔHf, kcal/mol:

-233.35

Dipole, Da:

11.38

IP(EA), eV:

 -9.02(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)Cl

DOS

IR

Vibrations