Geometry & MOs

Info

ID:	170583
PubChem CID:	75256363
Reduced:	SF2N3O3H21C23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	535.18894
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	2.67
IP(EA), eV:	-8.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[[2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazolidin-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CN2C3C=CSC3C(=O)N(C2=O)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations