Geometry & MOs

Info

ID:	284780
PubChem CID:	104070662
Reduced:	ClNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	266.073452
ΔH_f, kcal/mol:	-178.21
Dipole, Da:	1.8
IP(EA), eV:	-9.9(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-[(3-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C(C)(C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C)O

DOS

IR

Vibrations