Geometry & MOs

Info

ID:	65308
PubChem CID:	29212007
Reduced:	OSN2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	500.199445
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	6.18
IP(EA), eV:	-8.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)N/N=C\2/C[C@@H]3CC[C@]2(C3(C)C)C)C

DOS

IR

Vibrations