Geometry & MOs

Info

ID:	128158
PubChem CID:	51033143
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	2.3
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,13S)-16,17-dimethoxy-3-methyl-1,11-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-4,6,8,14,16,18-hexaene-2,10-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@H]3CN4[C@@H](C5=CC=CC=C5C4=O)C(=O)N3CCC2=C1)OC

DOS

IR

Vibrations