Geometry & MOs

Info

ID:	218660
PubChem CID:	85089772
Reduced:	N4O8C23H32 (1)
Stoich.:	A4B8C23D32 (1)
Weight, g/mol:	496.273279
ΔH_f, kcal/mol:	-346.91
Dipole, Da:	3.13
IP(EA), eV:	-9.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[(5-methylpyrazolidin-3-yl)amino]-6-(2-piperidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)C(CO)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

DOS

IR

Vibrations