Geometry & MOs

Info

ID:	239879
PubChem CID:	93167148
Reduced:	SN2O3C26H36 (1)
Stoich.:	AB2C3D26E36 (1)
Weight, g/mol:	456.244664
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	2.92
IP(EA), eV:	-8.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-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

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

DOS

IR

Vibrations