Geometry & MOs

Info

ID:

108191

PubChem CID:

50234615

Reduced:

SF2O4N7C28H31 (1)

Stoich.:

AB2C4D7E28F31 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-191.18

Dipole, Da:

11.9

IP(EA), eV:

 -8.97(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations