Geometry & MOs

Info

ID:	141581
PubChem CID:	52897407
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	379.06439
ΔH_f, kcal/mol:	-0.54
Dipole, Da:	6.56
IP(EA), eV:	-8.72(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(4R)-2,2-dimethyloxan-4-yl]-2-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

DOS

IR

Vibrations