Geometry & MOs

Info

ID:	31573
PubChem CID:	855887
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	342.124739
ΔH_f, kcal/mol:	-52.04
Dipole, Da:	3.15
IP(EA), eV:	-8.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butylphenyl)-1-(5-chloro-2-methoxyphenyl)tetrazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C(C)C

DOS

IR

Vibrations