Geometry & MOs

Info

ID:	236127
PubChem CID:	92711691
Reduced:	ClFSN2O2C24H24 (1)
Stoich.:	ABCD2E2F24G24 (1)
Weight, g/mol:	436.182064
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	9.33
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-ethyl-N,7-bis(4-methoxyphenyl)-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)OC)C(=O)NC4=CC(=C(C=C4)F)Cl)C

DOS

IR

Vibrations