Geometry & MOs

Info

ID:	147604
PubChem CID:	53787260
Reduced:	NPO4C17H34 (1)
Stoich.:	ABC4D17E34 (1)
Weight, g/mol:	604.118333
ΔH_f, kcal/mol:	-257.53
Dipole, Da:	3.26
IP(EA), eV:	-8.7(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-5-(2-methoxyphenoxy)-2-(3-phenylmethoxyphenyl)pyrimidin-4-yl]-5-(hydroxymethyl)pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=CCCCN(C)C)CP(=O)(CC(C)C)OCC

DOS

IR

Vibrations