Geometry & MOs

Info

ID:	240295
PubChem CID:	93576779
Reduced:	OSN2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	2.02
IP(EA), eV:	-8.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-1-(3,5-diaminobenzoyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CC(C)C)NC(=O)C1=C(C=CS1)N

DOS

IR

Vibrations