Geometry & MOs

Info

ID:	320703
PubChem CID:	126662732
Reduced:	ClSN3O5H20C24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	442.131091
ΔH_f, kcal/mol:	-112.42
Dipole, Da:	3.95
IP(EA), eV:	-8.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)OC1=CN=C(C2=C1SC=C2COC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl)N

DOS

IR

Vibrations