Geometry & MOs

Info

ID:	236166
PubChem CID:	92711793
Reduced:	SF2N2O2H24C25 (1)
Stoich.:	AB2C2D2E24F25 (1)
Weight, g/mol:	422.182813
ΔH_f, kcal/mol:	-116.19
Dipole, Da:	6.67
IP(EA), eV:	-8.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2C3=C(CCN2C(=O)NC4=C(C=C(C=C4)F)F)C5=C(S3)CCCC5

DOS

IR

Vibrations