Geometry & MOs

Info

ID:	136292
PubChem CID:	52013116
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	416.167083
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	2.41
IP(EA), eV:	-8.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=CC3=C(N2CCC4=CC=CC=C4)C=CS3

DOS

IR

Vibrations