Geometry & MOs

Info

ID:	320704
PubChem CID:	126662733
Reduced:	SN4O5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	484.178041
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	6.33
IP(EA), eV:	-8.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC(=CC=C2)OCC3=CSC4=C3C(=NC=C4OC(=O)NCCO)N

DOS

IR

Vibrations