Geometry & MOs

Info

ID:	47012
PubChem CID:	10528926
Reduced:	ISN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	485.07324
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	1.92
IP(EA), eV:	-8.91(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-bromo-4-methylsulfonylphenyl)-4-N-butyl-4-N-ethyl-2-methyl-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations