Geometry & MOs

Info

ID:	236139
PubChem CID:	92711708
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	438.177727
ΔH_f, kcal/mol:	-150.71
Dipole, Da:	4.61
IP(EA), eV:	-8.68(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-3-ethyl-N-[(4-fluorophenyl)methyl]-7-(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)NCC(=O)OCC)C

DOS

IR

Vibrations