Geometry & MOs

Info

ID:	342755
PubChem CID:	127265918
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	4.32
IP(EA), eV:	-9.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NSC=C1C(=O)N2CC(C3C2CCOC3)C4=CC=CC=C4

DOS

IR

Vibrations