Geometry & MOs

Info

ID:	65434
PubChem CID:	29214970
Reduced:	FNOC6H8 (3)
Stoich.:	ABCD6E8 (3)
Weight, g/mol:	509.163394
ΔH_f, kcal/mol:	-279.42
Dipole, Da:	3.67
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)CCN1C[C@@H](CCC1=O)C(=O)NCC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations