Geometry & MOs

Info

ID:	273652
PubChem CID:	103771576
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	303.080826
ΔH_f, kcal/mol:	-154.73
Dipole, Da:	1.93
IP(EA), eV:	-9.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-hydroxy-4-methylpentyl)-2-methylsulfanylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=NN(C(=O)C=C1)CCOC)O

DOS

IR

Vibrations