Geometry & MOs

Info

ID:

320988

PubChem CID:

126664349

Reduced:

ClFSO3N5C28H39 (1)

Stoich.:

ABCD3E5F28G39 (1)

Weight, g/mol:

608.259933

ΔHf, kcal/mol:

-115.93

Dipole, Da:

1.98

IP(EA), eV:

 -8.41(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-2-[(2R,6S)-4-(4-chlorophenyl)-2,6-dimethyloxan-4-yl]-N-[2-[2-[(6R,9S)-2,2-dihydroxy-2lambda4-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H](C4(CCNCC4)C5=CC=C(C=C5)Cl)N)S(C1)(O)O

DOS

IR

Vibrations