Geometry & MOs

Info

ID:	128157
PubChem CID:	51033142
Reduced:	NPH20C28 (1)
Stoich.:	ABC20D28 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	122.76
Dipole, Da:	6.82
IP(EA), eV:	-7.81(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,13S)-16,17-dimethoxy-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

C1=CC=C(C=C1)C2=CC(=P(C3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5)C#N

DOS

IR

Vibrations