Geometry & MOs

Info

ID:

436698

PubChem CID:

135207689

Reduced:

NSO7C13H25 (1)

Stoich.:

ABC7D13E25 (1)

Weight, g/mol:

664.2897

ΔHf, kcal/mol:

-310.49

Dipole, Da:

6.0

IP(EA), eV:

 -8.77(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyanohexan-2-yl N-[(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxymethyl]-N-(4-methylphenyl)carbamate

Drug info:

PubChemData

Smile

CCCCOC1C(C(CC(O1)CS(=O)CC(C(=O)O)N)O)O

DOS

IR

Vibrations