Geometry & MOs

Info

ID:	379661
PubChem CID:	134455263
Reduced:	SC36H52 (1)
Stoich.:	AB36C52 (1)
Weight, g/mol:	428.99366
ΔH_f, kcal/mol:	36.25
Dipole, Da:	2.19
IP(EA), eV:	-6.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-bromoacetyl)amino]ethyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]phosphonic acid

Drug info:

PubChemData

Smile

C1CCCC2C3CCCCCCC3C4CCCCCC4S(C2CCC1)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations