Geometry & MOs

Info

ID:	439542
PubChem CID:	135229318
Reduced:	SO2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	439.196802
ΔH_f, kcal/mol:	-203.62
Dipole, Da:	7.56
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

C(CCC(=O)O)CCSSCCCC(=O)O

DOS

IR

Vibrations