Geometry & MOs

Info

ID:	307272
PubChem CID:	125299318
Reduced:	N3P4C9O16H17 (1)
Stoich.:	A3B4C9D16E17 (1)
Weight, g/mol:	456.087033
ΔH_f, kcal/mol:	-954.46
Dipole, Da:	9.45
IP(EA), eV:	-9.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-1-[[(5S)-4-methyl-2,6-dioxo-5H-pyrimidin-5-yl]sulfonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O

DOS

IR

Vibrations