Geometry & MOs

Info

ID:	302194
PubChem CID:	124360331
Reduced:	N3O4C25H37 (1)
Stoich.:	A3B4C25D37 (1)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	-213.6
Dipole, Da:	5.5
IP(EA), eV:	-9.44(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,7S,8R,12R)-5-(2,4-dimethoxyphenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1CCCC1)NC(=O)[C@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

DOS

IR

Vibrations