Geometry & MOs

Info

ID:

424572

PubChem CID:

135123182

Reduced:

SN4O8C30H40 (1)

Stoich.:

AB4C8D30E40 (1)

Weight, g/mol:

773.285875

ΔHf, kcal/mol:

-240.58

Dipole, Da:

8.41

IP(EA), eV:

 -9.43(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-3-[(2R,3S)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methyl-3-[4-methyl-3-[[(4S)-4-methyl-1,1-dioxo-7-(trifluoromethyl)-4,5-dihydro-3H-1lambda6,2-benzothiazepin-2-yl]methyl]phenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)[C@H](C(C)(C)C(=O)O)OCC4=CN(N=N4)CCOCCOC)C

DOS

IR

Vibrations