Geometry & MOs

Info

ID:	156782
PubChem CID:	56385604
Reduced:	N3O5H17C20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	484.189275
ΔH_f, kcal/mol:	-53.66
Dipole, Da:	9.35
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=O)N2CC3=COC(=N3)C4=CC=CC=C4)OC

DOS

IR

Vibrations