Geometry & MOs

Info

ID:	236056
PubChem CID:	92711428
Reduced:	OSN2C26H28 (1)
Stoich.:	ABC2D26E28 (1)
Weight, g/mol:	434.202799
ΔH_f, kcal/mol:	12.22
Dipole, Da:	3.69
IP(EA), eV:	-8.39(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=CC=C3)CC(=O)N4CCC5=CC=CC=C54)C

DOS

IR

Vibrations