Geometry & MOs

Info

ID:

325875

PubChem CID:

126685366

Reduced:

ClFSN4O6C33H44 (1)

Stoich.:

ABCD4E6F33G44 (1)

Weight, g/mol:

680.281062

ΔHf, kcal/mol:

-273.56

Dipole, Da:

5.26

IP(EA), eV:

 -8.73(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R,2S)-1-(4-chlorophenyl)-3-[3-fluoro-2-[2-[(2S)-1-propylsulfonylpiperazin-2-yl]ethyl]anilino]-1-(4-methoxycyclohexyl)-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)N[C@@H]([C@H](CCC1CCCCO1)C2=CC=C(C=C2)Cl)C(=O)NC3=C(C(=CC=C3)F)CCC4CNC5CCCS(=O)(=O)N4C5

DOS

IR

Vibrations