Geometry & MOs

Info

ID:	236038
PubChem CID:	92711407
Reduced:	OSN2C26H30 (1)
Stoich.:	ABC2D26E30 (1)
Weight, g/mol:	418.207885
ΔH_f, kcal/mol:	-8.67
Dipole, Da:	3.86
IP(EA), eV:	-8.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(7S)-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