Geometry & MOs

Info

ID:	186511
PubChem CID:	77440271
Reduced:	FN3O4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	-155.56
Dipole, Da:	6.88
IP(EA), eV:	-8.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(=NC=CC)NC(=O)C1=CC2=C(CC(O2)(C)C)C(=C1)OC3=CC(=C(C=C3)C(=O)N(C)C)F

DOS

IR

Vibrations