Geometry & MOs

Info

ID:

96973

PubChem CID:

50026681

Reduced:

SF2O4N7C27H29 (1)

Stoich.:

AB2C4D7E27F29 (1)

Weight, g/mol:

640.201252

ΔHf, kcal/mol:

-179.24

Dipole, Da:

10.67

IP(EA), eV:

 -8.84(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations