Geometry & MOs

Info

ID:

320959

PubChem CID:

126664297

Reduced:

ClSF2N5O5C30H40 (1)

Stoich.:

ABC2D5E5F30G40 (1)

Weight, g/mol:

604.253098

ΔHf, kcal/mol:

-256.48

Dipole, Da:

5.72

IP(EA), eV:

 -8.44(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[[(1S,2R)-2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclopentyl]amino]-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)CC[C@H]2CN[C@@H]3CCCS(N2C3)(O)O)NC(=O)[C@H]([C@@H](C4=CC(=C(C=C4)Cl)F)C5=CC(=CN=C5)F)NC(=O)O

DOS

IR

Vibrations