Geometry & MOs

Info

ID:	168936
PubChem CID:	75042608
Reduced:	SN4O4C30H44 (1)
Stoich.:	AB4C4D30E44 (1)
Weight, g/mol:	502.25715
ΔH_f, kcal/mol:	-174.94
Dipole, Da:	0.62
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[[2-[[amino-(4-chloroanilino)methylidene]amino]-6-methylpyrimidin-4-yl]amino]pentyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNC3CCC(C3)(C)C)O)N4CCCCS4(=O)=O

DOS

IR

Vibrations