Geometry & MOs

Info

ID:	141582
PubChem CID:	52897604
Reduced:	BrO2N5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	379.06439
ΔH_f, kcal/mol:	0.93
Dipole, Da:	5.78
IP(EA), eV:	-10.14(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C[C@@H](CCO1)NC(=O)C2=C(C=CC(=C2)Br)N3C=NN=N3)C

DOS

IR

Vibrations