Geometry & MOs

Info

ID:	236125
PubChem CID:	92711689
Reduced:	SN2O4C27H30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	478.192629
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	1.87
IP(EA), eV:	-8.64(-0.59)
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]benzoate

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@H]2C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4C(=O)OCC)C

DOS

IR

Vibrations