Geometry & MOs

Info

ID:	424807
PubChem CID:	135124012
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	543.25154
ΔH_f, kcal/mol:	-69.86
Dipole, Da:	5.52
IP(EA), eV:	-9.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyltriazol-4-yl)methyl 3-[3-[(1,1-dihydroxy-4-methyl-4,5-dihydro-3H-pyrido[4,3-f]thiazepin-2-yl)methyl]-4-methylphenyl]-2,2-dimethylpropaneperoxoate

Drug info:

PubChemData

Smile

CC[C@H]1CC2=CC=CC=C2S(=O)(=O)NC1

DOS

IR

Vibrations