Geometry & MOs

Info

ID:

401195

PubChem CID:

135050549

Reduced:

SnN2O2C33H60 (1)

Stoich.:

AB2C2D33E60 (1)

Weight, g/mol:

436.251464

ΔHf, kcal/mol:

-127.98

Dipole, Da:

4.69

IP(EA), eV:

 -8.57(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-methoxy-3-methylbutan-2-yl]-1-[(12S)-12-methyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]methanimine

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(CCCCCCCOCC1=CC=CC=C1)N(C)C(=O)N2CCCC2

DOS

IR

Vibrations