Geometry & MOs

Info

ID:	236118
PubChem CID:	92711654
Reduced:	ClOSN2C24H25 (1)
Stoich.:	ABCD2E24F25 (1)
Weight, g/mol:	472.06203
ΔH_f, kcal/mol:	-7.0
Dipole, Da:	3.45
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=CC=C3)C(=O)NC4=C(C(=CC=C4)Cl)C)C

DOS

IR

Vibrations