Geometry & MOs

Info

ID:	337129
PubChem CID:	127256694
Reduced:	ClOS2F3N7H15C18 (1)
Stoich.:	ABC2D3E7F15G18 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-42.37
Dipole, Da:	1.82
IP(EA), eV:	-9.07(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethylbutyl 2-(2H-tetrazol-5-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCC2=CC(=C(C=C2)C(F)(F)F)NC(=S)NNC(=O)CN3N=CN=N3)Cl

DOS

IR

Vibrations