Geometry & MOs

Info

ID:	179729
PubChem CID:	76522318
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	323.116245
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	4.13
IP(EA), eV:	-9.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-tert-butyl-N-[1-[(2-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)N(C1CCN(C1=O)C2=NC=CS2)C(=O)O

DOS

IR

Vibrations