Geometry & MOs

Info

ID:	138458
PubChem CID:	52369570
Reduced:	ClSO2N4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	15.65
Dipole, Da:	9.72
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)SC2=NN=CN2CC3=CC=CO3

DOS

IR

Vibrations