Geometry & MOs

Info

ID:	139111
PubChem CID:	52475082
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	363.080826
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	5.52
IP(EA), eV:	-9.16(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)C[C@H]2NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

DOS

IR

Vibrations