Geometry & MOs

Info

ID:	68330
PubChem CID:	46508199
Reduced:	FSN2O4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	480.11775
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	6.17
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)COC)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

DOS

IR

Vibrations