Geometry & MOs

Info

ID:	449429
PubChem CID:	135298529
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	599.293011
ΔH_f, kcal/mol:	-99.37
Dipole, Da:	4.97
IP(EA), eV:	-9.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-benzylsulfanyl-6-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)C(=O)NNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations