Geometry & MOs

Info

ID:

108315

PubChem CID:

50240707

Reduced:

BrClFO4N5C35H40 (1)

Stoich.:

ABCD4E5F35G40 (1)

Weight, g/mol:

708.263852

ΔHf, kcal/mol:

-194.78

Dipole, Da:

6.25

IP(EA), eV:

 -8.82(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations