Geometry & MOs

Info

ID:

304688

PubChem CID:

124766056

Reduced:

SN3O4C26H29 (1)

Stoich.:

AB3C4D26E29 (1)

Weight, g/mol:

532.232185

ΔHf, kcal/mol:

-96.71

Dipole, Da:

4.93

IP(EA), eV:

 -8.57(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6S,7R)-3-(3-acetylphenyl)-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@H]4C(=O)NC(C)(C)C)CC5=CC=CS5)O3

DOS

IR

Vibrations