Geometry & MOs

Info

ID:

65283

PubChem CID:

29211900

Reduced:

SO3N5C26H35 (1)

Stoich.:

AB3C5D26E35 (1)

Weight, g/mol:

392.14376

ΔHf, kcal/mol:

-82.72

Dipole, Da:

7.96

IP(EA), eV:

 -8.85(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-chloro-N-methyl-N-[[5-methylsulfanyl-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]-3-phenylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=O)[C@H](S1)CC(=O)NC2=CC=CC(=C2)C(=O)N/N=C\3/C[C@@H]4CC[C@]3(C4(C)C)C

DOS

IR

Vibrations