Geometry & MOs

Info

ID:	210020
PubChem CID:	80751591
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	292.149953
ΔH_f, kcal/mol:	-216.97
Dipole, Da:	3.52
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,5-difluorophenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@H](CO)C(=O)O)C)C

DOS

IR

Vibrations