Geometry & MOs

Info

ID:	36756
PubChem CID:	8012237
Reduced:	BrO6H15C17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	403.99426
ΔH_f, kcal/mol:	-173.02
Dipole, Da:	2.95
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-bromophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1COC(=O)C2=CC3=C(C=C2)OCO3)OC)Br

DOS

IR

Vibrations