Geometry & MOs

Info

ID:

100057

PubChem CID:

50057951

Reduced:

ClF2O5N6C36H39 (1)

Stoich.:

AB2C5D6E36F39 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-276.05

Dipole, Da:

14.95

IP(EA), eV:

 -8.8(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylbutanoylamino)phenyl]-1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-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)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C)Cl

DOS

IR

Vibrations