Geometry & MOs

Info

ID:	445850
PubChem CID:	135269794
Reduced:	ClSO2N4C30H41 (1)
Stoich.:	ABC2D4E30F41 (1)
Weight, g/mol:	468.149908
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	6.52
IP(EA), eV:	-8.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methylaminomethyl)benzenecarboximidoyl] 3-amino-6-(2-chloro-4-propan-2-ylsulfanylphenyl)pyrazine-2-carboximidate

Drug info:

PubChemData

Smile

CCCC(C)CC1=C(C=C(C=C1)C(=N)OC(C2=C(N(CC(=N2)C3=CC=C(C=C3)S(=O)C(C)C)C)C)NC)Cl

DOS

IR

Vibrations