Geometry & MOs

Info

ID:

320953

PubChem CID:

126664290

Reduced:

SF2N4O5C31H42 (1)

Stoich.:

AB2C4D5E31F42 (1)

Weight, g/mol:

580.228633

ΔHf, kcal/mol:

-261.72

Dipole, Da:

5.26

IP(EA), eV:

 -8.41(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-2-[4-(4-chlorophenyl)oxan-4-yl]-N-[2-[2-[(9S)-2,2-dihydroxy-2lambda4-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]acetamide

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(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)NC(=O)O

DOS

IR

Vibrations