Geometry & MOs

Info

ID:	63237
PubChem CID:	26750265
Reduced:	SN3O6C22H27 (1)
Stoich.:	AB3C6D22E27 (1)
Weight, g/mol:	420.03208
ΔH_f, kcal/mol:	-131.26
Dipole, Da:	9.46
IP(EA), eV:	-9.47(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations