Geometry & MOs

Info

ID:	12907
PubChem CID:	148162
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-131.3
Dipole, Da:	3.41
IP(EA), eV:	-8.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,15S)-10-(3,4,5-trimethoxyphenyl)-13-oxa-8,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-12-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@@H]2C3=C(C[C@@H]4N2C(=O)OC4)C5=CC=CC=C5N3

DOS

IR

Vibrations