Geometry & MOs

Info

ID:

99031

PubChem CID:

50047897

Reduced:

SF2O4N7C33H39 (1)

Stoich.:

AB2C4D7E33F39 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-197.3

Dipole, Da:

12.57

IP(EA), eV:

 -8.88(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-[1-[1-[5-[(2,5-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=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=NN=C(S5)C(C)C

DOS

IR

Vibrations