Geometry & MOs

Info

ID:	195337
PubChem CID:	78674946
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	421.140449
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	10.21
IP(EA), eV:	-8.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)N3CCCCCC3

DOS

IR

Vibrations