Geometry & MOs

Info

ID:	236043
PubChem CID:	92711413
Reduced:	SN2O3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	462.197714
ΔH_f, kcal/mol:	-81.29
Dipole, Da:	4.82
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations