Geometry & MOs

Info

ID:

179546

PubChem CID:

76496212

Reduced:

NO4C33H47 (1)

Stoich.:

AB4C33D47 (1)

Weight, g/mol:

784.365842

ΔHf, kcal/mol:

-141.47

Dipole, Da:

2.38

IP(EA), eV:

 -8.69(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[8-[[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]-(3-tritylsulfanylpropyl)amino]carbamate

Drug info:

PubChemData

Smile

CCCC1=COC(=N1)C2(CC2)C(C=CC(C)C3CCC4C3(CCCC4=CC=C5CC(CC(C5=C)O)O)C)O

DOS

IR

Vibrations