Geometry & MOs

Info

ID:

214759

PubChem CID:

85083597

Reduced:

O4S4N6C25H26 (1)

Stoich.:

A4B4C6D25E26 (1)

Weight, g/mol:

602.429488

ΔHf, kcal/mol:

-43.35

Dipole, Da:

6.23

IP(EA), eV:

 -9.26(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(azepan-1-ylmethyl)-3a-(dodecoxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-methylphenyl)carbamate

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=C(C=C3)CSC(=N)N)C(=O)O)SC4=CC=CC=C4CSC(=N)N

DOS

IR

Vibrations