Geometry & MOs

Info

ID:	48638
PubChem CID:	11110204
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	36.3
Dipole, Da:	2.72
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,10S,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraen-10-ol

Drug info:

PubChemData

Smile

C/C(=N\NC(=S)NC1=CC=CC=C1)/CC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations