Geometry & MOs

Info

ID:	236167
PubChem CID:	92711805
Reduced:	FOSN2C25H27 (1)
Stoich.:	ABCD2E25F27 (1)
Weight, g/mol:	424.162077
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	6.66
IP(EA), eV:	-8.47(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)N2CCC3=C([C@@H]2C4=CC=C(C=C4)F)SC(=C3CC)C

DOS

IR

Vibrations