Geometry & MOs

Info

ID:	200501
PubChem CID:	79401147
Reduced:	SO2N4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-38.23
Dipole, Da:	1.98
IP(EA), eV:	-9.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopropylamino)-3-oxopropyl]-3-ethylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNC(=O)C2=CSC(=N2)CN

DOS

IR

Vibrations