Geometry & MOs

Info

ID:	236031
PubChem CID:	92711397
Reduced:	SN2O3C26H30 (1)
Stoich.:	AB2C3D26E30 (1)
Weight, g/mol:	486.07768
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	4.68
IP(EA), eV:	-8.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-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=CC(=CC(=C4)OC)OC)C

DOS

IR

Vibrations