Geometry & MOs

Info

ID:

320960

PubChem CID:

126664299

Reduced:

SF2N4O5C30H38 (1)

Stoich.:

AB2C4D5E30F38 (1)

Weight, g/mol:

606.268748

ΔHf, kcal/mol:

-251.16

Dipole, Da:

4.94

IP(EA), eV:

 -9.36(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[[(1S,2R)-2-[2-[(6R,9S)-2,2-dihydroxy-2lambda4-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

C1C[C@@H]([C@H](C1)NC(=O)[C@H](C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NC(=O)O)CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5

DOS

IR

Vibrations