Geometry & MOs

Info

ID:	320707
PubChem CID:	126662793
Reduced:	ClSN4O5H23C25 (1)
Stoich.:	ABC4D5E23F25 (1)
Weight, g/mol:	518.112327
ΔH_f, kcal/mol:	-110.43
Dipole, Da:	5.09
IP(EA), eV:	-8.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-3-[[3-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)C(=O)C2=CC(=CC=C2)OCC3=CSC4=C3C(=NC=C4OC(=O)NCCO)N

DOS

IR

Vibrations