Geometry & MOs

Info

ID:	448744
PubChem CID:	135293230
Reduced:	OCl2N6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	268.11063
ΔH_f, kcal/mol:	-4.18
Dipole, Da:	4.24
IP(EA), eV:	-9.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-5-carbamimidoylpyridin-2-yl)-3-(2-methylsulfanylethyl)urea

Drug info:

PubChemData

Smile

CCN=C(C1=CN=C(C=C1N)NC(=O)NCC2=CC(=C(C=C2)Cl)Cl)N

DOS

IR

Vibrations