Geometry & MOs

Info

ID:	31320
PubChem CID:	855570
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	323.085224
ΔH_f, kcal/mol:	-35.52
Dipole, Da:	4.66
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C(C)C

DOS

IR

Vibrations