Geometry & MOs

Info

ID:	435040
PubChem CID:	135178530
Reduced:	N2O5C30H36 (1)
Stoich.:	A2B5C30D36 (1)
Weight, g/mol:	835.328471
ΔH_f, kcal/mol:	-129.11
Dipole, Da:	4.09
IP(EA), eV:	-8.98(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(ethylcarbamoyloxy)ethyldisulfanyl]ethyl 4-[4-oxo-4-[2-(4-tritylpiperazine-1-carbonyl)oxyethoxy]butanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C(COCCOCCO)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations