Geometry & MOs

Info

ID:

225646

PubChem CID:

87219121

Reduced:

BrClSN3O3C23H31 (1)

Stoich.:

ABCD3E3F23G31 (1)

Weight, g/mol:

791.407811

ΔHf, kcal/mol:

-128.39

Dipole, Da:

7.83

IP(EA), eV:

 -9.11(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[3-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(3-formamido-4-hydroxyphenyl)ethyl]iminomethyl]-N,3-dimethylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C(=O)O)Br)CNC(=O)C(CC(C)C)CS)Cl

DOS

IR

Vibrations