Geometry & MOs

Info

ID:	236059
PubChem CID:	92711433
Reduced:	SN2O2C28H34 (1)
Stoich.:	AB2C2D28E34 (1)
Weight, g/mol:	382.207885
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	5.72
IP(EA), eV:	-8.65(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-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)NCC4=CC=C(C=C4)OC(C)C)C

DOS

IR

Vibrations