Geometry & MOs

Info

ID:

321051

PubChem CID:

126664581

Reduced:

SF3N4O6C30H39 (1)

Stoich.:

AB3C4D6E30F39 (1)

Weight, g/mol:

622.320035

ΔHf, kcal/mol:

-363.2

Dipole, Da:

11.0

IP(EA), eV:

 -9.16(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(CCCF)(C1=CC=C(C=C1)F)[C@@H](C(=O)NC2=C(C(=CC=C2)F)CC[C@H]3CNC4CCCS(=O)(=O)N3C4)NC(=O)O

DOS

IR

Vibrations