Geometry & MOs

Info

ID:	236042
PubChem CID:	92711411
Reduced:	SN2O2C26H30 (1)
Stoich.:	AB2C2D26E30 (1)
Weight, g/mol:	462.197714
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	4.06
IP(EA), eV:	-8.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[(7S)-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)OCC)C

DOS

IR

Vibrations