Geometry & MOs

Info

ID:	227610
PubChem CID:	87562084
Reduced:	S2N4O8C16H37 (1)
Stoich.:	A2B4C8D16E37 (1)
Weight, g/mol:	444.179755
ΔH_f, kcal/mol:	-285.04
Dipole, Da:	3.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.756442
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-6-methoxy-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[N+](CCN1)(CCO)CCS(=O)(=O)O.C1CN(CCN1CCO)CCS(=O)(=O)O

DOS

IR

Vibrations