Geometry & MOs

Info

ID:	184085
PubChem CID:	77106330
Reduced:	FN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	457.03277
ΔH_f, kcal/mol:	-190.2
Dipole, Da:	4.41
IP(EA), eV:	-8.94(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(1S)-1-(2-bromophenyl)-2-[dideuterio(fluoro)methoxy]-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2CCOC2=O)C[C@H]3COC4=C(O3)C(=CC=C4)F

DOS

IR

Vibrations