Geometry & MOs

Info

ID:	236065
PubChem CID:	92711443
Reduced:	ClOSN2F3H24C25 (1)
Stoich.:	ABCD2E3F24G25 (1)
Weight, g/mol:	438.153262
ΔH_f, kcal/mol:	-160.95
Dipole, Da:	5.94
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-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)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C

DOS

IR

Vibrations