Geometry & MOs

Info

ID:	34958
PubChem CID:	7979135
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	401.114234
ΔH_f, kcal/mol:	-161.62
Dipole, Da:	1.6
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4)F

DOS

IR

Vibrations