Geometry & MOs

Info

ID:	194240
PubChem CID:	78503080
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	349.13726
ΔH_f, kcal/mol:	-153.04
Dipole, Da:	4.73
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(C)O)C)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations