Geometry & MOs

Info

ID:	155873
PubChem CID:	56368054
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-177.98
Dipole, Da:	4.96
IP(EA), eV:	-9.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC=CC=C2SCC3=C(C=CO3)C(=O)OC

DOS

IR

Vibrations