Geometry & MOs

Info

ID:	65272
PubChem CID:	29211862
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	488.179459
ΔH_f, kcal/mol:	-104.68
Dipole, Da:	3.23
IP(EA), eV:	-9.21(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N/N=C\1/C[C@@H]2CC[C@]1(C2(C)C)C)NC(=O)C

DOS

IR

Vibrations