Geometry & MOs

Info

ID:	236122
PubChem CID:	92711664
Reduced:	OSN2C25H28 (1)
Stoich.:	ABC2D25E28 (1)
Weight, g/mol:	434.166414
ΔH_f, kcal/mol:	1.07
Dipole, Da:	4.46
IP(EA), eV:	-8.57(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)C)C)C

DOS

IR

Vibrations