Geometry & MOs

Info

ID:	37909
PubChem CID:	8025467
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	3.8
IP(EA), eV:	-9.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](C)C3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations