Geometry & MOs

Info

ID:	2078
PubChem CID:	5738
Reduced:	SN3O3C32H35 (1)
Stoich.:	AB3C3D32E35 (1)
Weight, g/mol:	541.239913
ΔH_f, kcal/mol:	-24.57
Dipole, Da:	4.85
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3)C(=O)C5=CN=C(C=C5)OCCN6CCCC6

DOS

IR

Vibrations