Geometry & MOs

Info

ID:	236035
PubChem CID:	92711403
Reduced:	OSN2C26H30 (1)
Stoich.:	ABC2D26E30 (1)
Weight, g/mol:	420.187149
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	4.0
IP(EA), eV:	-8.78(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=CC=C3)CC(=O)NCC4=CC=C(C=C4)C)C

DOS

IR

Vibrations