Geometry & MOs

Info

ID:	145447
PubChem CID:	53526478
Reduced:	F3N3O3C20H24 (1)
Stoich.:	A3B3C3D20E24 (1)
Weight, g/mol:	268.063011
ΔH_f, kcal/mol:	-279.52
Dipole, Da:	3.15
IP(EA), eV:	-9.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)C2CC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations