Geometry & MOs

Info

ID:	127992
PubChem CID:	51025673
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	388.082599
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	5.17
IP(EA), eV:	-8.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloroanilino)-2-oxoethyl] 2-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)N[C@H]3C[C@]2(OC4=C3C=C(C=C4O)C(C)(C)C)C)C

DOS

IR

Vibrations