Geometry & MOs

Info

ID:	65276
PubChem CID:	29211885
Reduced:	SO2N5C22H29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-1.74
Dipole, Da:	4.72
IP(EA), eV:	-8.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2=CC=CC=C2OC)SCC(=O)N/N=C\3/C[C@H]4CC[C@@]3(C4(C)C)C

DOS

IR

Vibrations