Geometry & MOs

Info

ID:

325862

PubChem CID:

126685331

Reduced:

ClFSN4O5C32H38 (1)

Stoich.:

ABCD4E5F32G38 (1)

Weight, g/mol:

664.197869

ΔHf, kcal/mol:

-91.68

Dipole, Da:

5.97

IP(EA), eV:

 -8.64(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1S,2S)-1-(3,5-difluorophenyl)-3-[2-[(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methoxy]-3-fluoroanilino]-1-(4-fluorophenyl)-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)N[C@H](C(=O)NC1=C(C(=CC=C1)F)CC[C@H]2CNC3CCCS(=O)N2CC#C3)C4(CCOCC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations