Geometry & MOs

Info

ID:	128041
PubChem CID:	51028466
Reduced:	OSN2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	1.16
Dipole, Da:	3.93
IP(EA), eV:	-8.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylanilino)-2-oxoethyl] (1S,3R,6R,7S,9S)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations