Geometry & MOs

Info

ID:	136288
PubChem CID:	52013054
Reduced:	SN2O2H20C23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	428.192235
ΔH_f, kcal/mol:	10.68
Dipole, Da:	5.37
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperidin-1-yl)-[4-(2-phenylethyl)thieno[3,2-b]pyrrol-5-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(N2CCC4=CC=CC=C4)C=CS3

DOS

IR

Vibrations