Geometry & MOs

Info

ID:

98040

PubChem CID:

50038606

Reduced:

SF2O4N7C31H37 (1)

Stoich.:

AB2C4D7E31F37 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-203.46

Dipole, Da:

4.42

IP(EA), eV:

 -9.3(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-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)NCCC(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations