Geometry & MOs

Info

ID:	236120
PubChem CID:	92711660
Reduced:	BrOSN2C23H23 (1)
Stoich.:	ABCD2E23F23 (1)
Weight, g/mol:	404.192235
ΔH_f, kcal/mol:	17.9
Dipole, Da:	6.58
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-ethyl-N-(2-ethylphenyl)-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=CC=C(C=C4)Br)C

DOS

IR

Vibrations