Geometry & MOs

Info

ID:	239809
PubChem CID:	93167051
Reduced:	SN2O4C25H34 (1)
Stoich.:	AB2C4D25E34 (1)
Weight, g/mol:	458.223929
ΔH_f, kcal/mol:	-141.94
Dipole, Da:	5.87
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N(CCOC)CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)C(C)C)C=CS2

DOS

IR

Vibrations