Geometry & MOs

Info

ID:	236119
PubChem CID:	92711656
Reduced:	BrFOSN2H22C23 (1)
Stoich.:	ABCDE2F22G23 (1)
Weight, g/mol:	454.07145
ΔH_f, kcal/mol:	-27.8
Dipole, Da:	5.02
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(4-bromophenyl)-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=C(C=C4)Br)F)C

DOS

IR

Vibrations