Geometry & MOs

Info

ID:	236039
PubChem CID:	92711408
Reduced:	OSN2C26H30 (1)
Stoich.:	ABC2D26E30 (1)
Weight, g/mol:	432.187149
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	2.4
IP(EA), eV:	-8.53(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=CC=C3)CC(=O)NC4=C(C=CC(=C4)C)C)C

DOS

IR

Vibrations