Geometry & MOs

Info

ID:	320708
PubChem CID:	126662810
Reduced:	SN2F3O5H21C25 (1)
Stoich.:	AB2C3D5E21F25 (1)
Weight, g/mol:	463.120192
ΔH_f, kcal/mol:	-265.66
Dipole, Da:	5.94
IP(EA), eV:	-8.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-3-[(3-benzamidophenoxy)methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate

Drug info:

PubChemData

Smile

CCOC(=O)OC1=CN=C(C2=C1SC=C2COC3=CC=CC(=C3)OCC4=CC(=CC=C4)C(F)(F)F)N

DOS

IR

Vibrations