Geometry & MOs

Info

ID:	236140
PubChem CID:	92711712
Reduced:	FSN2O2C25H27 (1)
Stoich.:	ABC2D2E25F27 (1)
Weight, g/mol:	470.1334
ΔH_f, kcal/mol:	-77.32
Dipole, Da:	3.04
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations