Geometry & MOs

Info

ID:

321022

PubChem CID:

126664463

Reduced:

ClSN4O4C34H57 (1)

Stoich.:

ABC4D4E34F57 (1)

Weight, g/mol:

684.185448

ΔHf, kcal/mol:

-186.53

Dipole, Da:

2.25

IP(EA), eV:

 -8.34(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S)-1-(4-chlorophenyl)-3-[2-[2-[(9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-1-(1,1-dioxothian-4-yl)-3-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC[C@H](C)N([C@H]1CCC[C@@H]1CC[C@H]2CN[C@@H]3CCCS(N2C3)(O)O)C(=O)[C@H]([C@H](C4CCOC(C4)(C)C)C5=CC=C(C=C5)Cl)N

DOS

IR

Vibrations