Geometry & MOs

Info

ID:	243683
PubChem CID:	99233977
Reduced:	ClSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	488.155198
ΔH_f, kcal/mol:	-127.96
Dipole, Da:	4.78
IP(EA), eV:	-9.35(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)N3CCC[C@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations