Geometry & MOs

Info

ID:	236295
PubChem CID:	92712271
Reduced:	SN2O3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	372.129634
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	3.2
IP(EA), eV:	-8.31(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylthieno[2,3-b]quinolin-2-yl)-[(3S)-3-phenylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC(=C(C=C2CCN1C(=O)C3=CC4=C(S3)N=C5C=CC(=CC5=C4)C)OC)OC

DOS

IR

Vibrations