Geometry & MOs

Info

ID:	446121
PubChem CID:	135272518
Reduced:	PN2O2C6H13 (1)
Stoich.:	AB2C2D6E13 (1)
Weight, g/mol:	587.092583
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	1.56
IP(EA), eV:	-9.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfonyl-8-[3-(4-phosphanylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)C(=O)P)N

DOS

IR

Vibrations