Geometry & MOs

Info

ID:	342171
PubChem CID:	127264884
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-30.8
Dipole, Da:	2.7
IP(EA), eV:	-9.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CC(C3C2CCOC3)C4=CC=CC=C4

DOS

IR

Vibrations