Geometry & MOs

Info

ID:	136291
PubChem CID:	52013115
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	368.155849
ΔH_f, kcal/mol:	-12.96
Dipole, Da:	2.59
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(2-phenylethyl)thieno[3,2-b]pyrrol-5-yl]methanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC3=C(N2CCC4=CC=CC=C4)C=CS3

DOS

IR

Vibrations