Geometry & MOs

Info

ID:	432009
PubChem CID:	135172137
Reduced:	SO2F3N5C25H28 (1)
Stoich.:	AB2C3D5E25F28 (1)
Weight, g/mol:	475.268236
ΔH_f, kcal/mol:	-154.99
Dipole, Da:	3.2
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-[(E)-4-methoxy-4-oxobut-2-en-2-yl]-N-(2-methylpropyl)-2-nitroanilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCNCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations