Geometry & MOs

Info

ID:	416343
PubChem CID:	135089356
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-129.18
Dipole, Da:	6.78
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-amino-5-ethylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations