Geometry & MOs

Info

ID:	217522
PubChem CID:	85087938
Reduced:	SN3O4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	371.228102
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	10.8
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-N,N-diethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4CCC5(N4C(=CS(=O)(=O)OC5C3)O)C#N

DOS

IR

Vibrations