Geometry & MOs

Info

ID:	320706
PubChem CID:	126662788
Reduced:	SF3N3O5H22C25 (1)
Stoich.:	AB3C3D5E22F25 (1)
Weight, g/mol:	526.107769
ΔH_f, kcal/mol:	-270.76
Dipole, Da:	6.47
IP(EA), eV:	-8.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-3-[[3-[(4-chlorophenyl)-methylcarbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)COC2=CC(=CC=C2)OCC3=CSC4=C3C(=NC=C4OC(=O)NCCO)N

DOS

IR

Vibrations