Geometry & MOs

Info

ID:	307671
PubChem CID:	125307968
Reduced:	N2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	438.208947
ΔH_f, kcal/mol:	-7.94
Dipole, Da:	4.45
IP(EA), eV:	-9.49(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(4aR)-7-(2-methylphenyl)-4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=O)CN=N2

DOS

IR

Vibrations