Geometry & MOs

Info

ID:	243878
PubChem CID:	99300560
Reduced:	NO3S3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	445.084007
ΔH_f, kcal/mol:	-39.39
Dipole, Da:	2.7
IP(EA), eV:	-8.25(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCSCC(=O)N2CCC3=C([C@@H]2C4=CC=CS4)C=CS3

DOS

IR

Vibrations