Geometry & MOs

Info

ID:	169299
PubChem CID:	75086308
Reduced:	NF2O4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	401.071324
ΔH_f, kcal/mol:	-202.94
Dipole, Da:	4.34
IP(EA), eV:	-10.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-[(4-chlorophenyl)methylideneamino]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)OC(F)F)C=CC(=O)OC

DOS

IR

Vibrations