Geometry & MOs

Info

ID:	440278
PubChem CID:	135230218
Reduced:	ClS2N7H10C13 (1)
Stoich.:	AB2C7D10E13 (1)
Weight, g/mol:	411.220515
ΔH_f, kcal/mol:	182.81
Dipole, Da:	6.44
IP(EA), eV:	-9.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-1-methyl-3-[2-(methylideneamino)phenyl]-3-[[6-(pent-1-en-2-ylamino)pyridin-2-yl]methylsulfanylmethyl]guanidine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=CN=C(S4)Cl

DOS

IR

Vibrations