Geometry & MOs

Info

ID:	445907
PubChem CID:	135269911
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	-51.25
Dipole, Da:	4.94
IP(EA), eV:	-8.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(pyrrolidin-3-ylamino)ethanimidoyl] 3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazine-2-carboximidate

Drug info:

PubChemData

Smile

CCCCN1CC(N(C(C1)C)CC2=CC=C(C=C2)C(=O)NO)C

DOS

IR

Vibrations