Geometry & MOs

Info

ID:	196206
PubChem CID:	78797778
Reduced:	SN3O5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	377.109959
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	5.03
IP(EA), eV:	-9.56(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

DOS

IR

Vibrations