Geometry & MOs

Info

ID:

325867

PubChem CID:

126685345

Reduced:

FSN4O6C33H45 (1)

Stoich.:

ABC4D6E33F45 (1)

Weight, g/mol:

719.215603

ΔHf, kcal/mol:

-260.17

Dipole, Da:

6.93

IP(EA), eV:

 -8.73(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1S,2S)-1-(4-chlorophenyl)-1-[6-(1,1-difluoroethyl)pyridin-3-yl]-3-[2-[2-(6-ethynyl-1,1-dioxo-1,2,5-thiadiazonan-3-yl)ethyl]-3-fluoroanilino]-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@H](O1)C)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)NC3=CC=CC=C3CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)NC(=O)OC

DOS

IR

Vibrations