Geometry & MOs

Info

ID:	68454
PubChem CID:	46508441
Reduced:	FSO3N4H21C25 (1)
Stoich.:	ABC3D4E21F25 (1)
Weight, g/mol:	415.086974
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	2.53
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)/C=C/C3=CC=C(S3)C4=CC=C(C=C4)F

DOS

IR

Vibrations