Geometry & MOs

Info

ID:	145805
PubChem CID:	53596808
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	4.15
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(3-acetylphenyl)carbamoylamino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CS(=O)CC(=O)NC(C)C2=CC=CC=C2

DOS

IR

Vibrations