Geometry & MOs

Info

ID:	36418
PubChem CID:	8006293
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	391.071466
ΔH_f, kcal/mol:	31.21
Dipole, Da:	4.88
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-phenyl-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanenitrile

Drug info:

PubChemData

Smile

C1CC(=O)NN=C1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations