Geometry & MOs

Info

ID:

173114

PubChem CID:

75599385

Reduced:

S2N7O7C35H45 (1)

Stoich.:

A2B7C7D35E45 (1)

Weight, g/mol:

380.256274

ΔHf, kcal/mol:

-210.11

Dipole, Da:

8.92

IP(EA), eV:

 -8.55(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-hydroxy-2,6,10-trimethyl-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,6.09,14]hexadecan-10-yl) acetate

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCOCC2)CC3=CC(=CC=C3)C4=CC5=C(C(=C4)S(=O)(=O)NC6=C(SC=C6)C(=O)NC(CCCN=C(N)N)C(=O)O)OCC5

DOS

IR

Vibrations