Geometry & MOs

Info

ID:	236170
PubChem CID:	92711813
Reduced:	FSN2O3C25H27 (1)
Stoich.:	ABC2D3E25F27 (1)
Weight, g/mol:	454.172642
ΔH_f, kcal/mol:	-114.7
Dipole, Da:	7.35
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations