Geometry & MOs

Info

ID:	145534
PubChem CID:	53540679
Reduced:	ClS2O3N4H9C10 (1)
Stoich.:	AB2C3D4E9F10 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-47.71
Dipole, Da:	3.08
IP(EA), eV:	-9.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1S(=O)(=O)N(CC(=O)N)C2=NC=CS2)Cl

DOS

IR

Vibrations