Geometry & MOs

Info

ID:	236027
PubChem CID:	92711387
Reduced:	OSN2C23H32 (1)
Stoich.:	ABC2D23E32 (1)
Weight, g/mol:	384.223535
ΔH_f, kcal/mol:	-41.04
Dipole, Da:	3.05
IP(EA), eV:	-8.82(-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-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations