Geometry & MOs

Info

ID:	236116
PubChem CID:	92711649
Reduced:	SN2O2C25H28 (1)
Stoich.:	AB2C2D25E28 (1)
Weight, g/mol:	424.137612
ΔH_f, kcal/mol:	-28.68
Dipole, Da:	5.96
IP(EA), eV:	-8.11(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(3-chloro-2-methylphenyl)-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=CC=C(C=C4)OCC)C

DOS

IR

Vibrations