Geometry & MOs

Info

ID:	162357
PubChem CID:	57394419
Reduced:	ClSO3N4H17C22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	337.085414
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	4.13
IP(EA), eV:	-8.59(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)NN/C=C\4/C=CC=CC4=O)Cl

DOS

IR

Vibrations