Geometry & MOs

Info

ID:	160829
PubChem CID:	57389911
Reduced:	NO4C26H39 (1)
Stoich.:	AB4C26D39 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-143.04
Dipole, Da:	4.56
IP(EA), eV:	-8.15(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9R)-4,5,13-trimethyl-7-(oxan-4-yl)-11-oxa-3-thia-12-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCCCCNCCCCCC2=CC(=C(C=C2)OC)OC)OC

DOS

IR

Vibrations