Geometry & MOs

Info

ID:	194595
PubChem CID:	78559355
Reduced:	FN3O5C13H14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	328.11063
ΔH_f, kcal/mol:	-243.1
Dipole, Da:	3.89
IP(EA), eV:	-10.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)N)OC(=O)CNC(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations