Geometry & MOs

Info

ID:	312037
PubChem CID:	126602130
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	384.171893
ΔH_f, kcal/mol:	9.41
Dipole, Da:	4.53
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C2CCCN2C3=C(N=CS3)C

DOS

IR

Vibrations