Geometry & MOs

Info

ID:	79703
PubChem CID:	49830033
Reduced:	N2O5H22C23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	418.111104
ΔH_f, kcal/mol:	-148.86
Dipole, Da:	5.78
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C3=CC=CC=C32)OC

DOS

IR

Vibrations