Geometry & MOs

Info

ID:	63367
PubChem CID:	26758179
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	481.189609
ΔH_f, kcal/mol:	-192.56
Dipole, Da:	3.25
IP(EA), eV:	-9.72(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(C)C)OC(=O)CN1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations