Geometry & MOs

Info

ID:	231387
PubChem CID:	87573601
Reduced:	NSO5C12H19 (1)
Stoich.:	ABC5D12E19 (1)
Weight, g/mol:	437.174916
ΔH_f, kcal/mol:	-212.27
Dipole, Da:	7.62
IP(EA), eV:	-9.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C(=O)CN)O

DOS

IR

Vibrations