Geometry & MOs

Info

ID:	395027
PubChem CID:	135024464
Reduced:	OSN2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-20.57
Dipole, Da:	2.41
IP(EA), eV:	-8.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,12S,15S)-1-hydroxy-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-2,14,20-trione

Drug info:

PubChemData

Smile

C1CCN(CC1)C(C(=O)C2=CC=CC=C2)SN3CCCCC3

DOS

IR

Vibrations