Geometry & MOs

Info

ID:	162359
PubChem CID:	57394422
Reduced:	SCl2O3N7C15H19 (1)
Stoich.:	AB2C3D7E15F19 (1)
Weight, g/mol:	391.06176
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	4.72
IP(EA), eV:	-8.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]-6-iodopyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)CCNC2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N.Cl

DOS

IR

Vibrations