Geometry & MOs

Info

ID:	239841
PubChem CID:	93167102
Reduced:	SN2O3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	490.229014
ΔH_f, kcal/mol:	-110.09
Dipole, Da:	7.81
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations