Geometry & MOs

Info

ID:	65273
PubChem CID:	29211876
Reduced:	FOSN6H25C26 (1)
Stoich.:	ABCD6E25F26 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	51.78
Dipole, Da:	10.9
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CSC2=NNC(=N2)NN=C(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations