Geometry & MOs

Info

ID:

223927

PubChem CID:

85335789

Reduced:

N3P3O15C18H25 (1)

Stoich.:

A3B3C15D18E25 (1)

Weight, g/mol:

736.25033

ΔHf, kcal/mol:

-778.08

Dipole, Da:

8.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.857156

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl 4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-2-[3-[(4-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(C(OC1N2CC(C(=O)NC2=O)C=CCNC(=O)[C]3[CH][CH][CH][CH]3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations