Geometry & MOs

Info

ID:	184080
PubChem CID:	77105779
Reduced:	F2O2N4H22C25 (1)
Stoich.:	A2B2C4D22E25 (1)
Weight, g/mol:	474.109552
ΔH_f, kcal/mol:	-70.23
Dipole, Da:	4.74
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trideuteriomethyl (2S)-2-(2-chlorophenyl)-2-(2-phenylmethoxycarbonyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=CC=CC=C2C(=O)N3CCC(C(C3)OC4=NC5=CC=CC=C5C=C4)(F)F

DOS

IR

Vibrations