Geometry & MOs

Info

ID:	237233
PubChem CID:	92717962
Reduced:	N2O5H26C29 (1)
Stoich.:	A2B5C26D29 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	3.39
IP(EA), eV:	-8.88(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dimethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OC)NC(=O)COC(=O)C2=C3CC/C(=C\C4=CC=CO4)/C3=NC5=CC=CC=C52

DOS

IR

Vibrations