Geometry & MOs

Info

ID:	218029
PubChem CID:	85088767
Reduced:	FSN4O5C18H19 (1)
Stoich.:	ABC4D5E18F19 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-203.7
Dipole, Da:	6.19
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-benzyl-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)N)F

DOS

IR

Vibrations