Geometry & MOs

Info

ID:	297844
PubChem CID:	117633595
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	399.092059
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	5.19
IP(EA), eV:	-8.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(3S)-3-aminopiperidin-1-yl]-6-chloro-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C2=CC(=C(C3=C2N=CC(=C3)O)OC)C(C)(C)C

DOS

IR

Vibrations