Geometry & MOs

Info

ID:

320965

PubChem CID:

126664305

Reduced:

ClFSO4N5C30H41 (1)

Stoich.:

ABCD4E5F30G41 (1)

Weight, g/mol:

622.263663

ΔHf, kcal/mol:

-172.65

Dipole, Da:

6.58

IP(EA), eV:

 -8.95(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-1-[2-[2-[(6R,9S)-2,2-dihydroxy-2lambda4-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-3-(4-fluorophenyl)-3-(3-methoxycyclobutyl)-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations