Geometry & MOs

Info

ID:

97232

PubChem CID:

50028743

Reduced:

SF2O4N7C27H29 (1)

Stoich.:

AB2C4D7E27F29 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-184.76

Dipole, Da:

8.78

IP(EA), eV:

 -9.14(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations