Geometry & MOs

Info

ID:	35590
PubChem CID:	7980072
Reduced:	N2S2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-133.61
Dipole, Da:	6.59
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N'-(4-tert-butylbenzoyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N[C@H]3CCS(=O)(=O)C3)N

DOS

IR

Vibrations