Geometry & MOs

Info

ID:	236138
PubChem CID:	92711706
Reduced:	SN2O2C25H28 (1)
Stoich.:	AB2C2D25E28 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	3.93
IP(EA), eV:	-8.35(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(7R)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=C(C=C3)OC)C(=O)NCC4=CC=CC=C4)C

DOS

IR

Vibrations