Geometry & MOs

Info

ID:

176918

PubChem CID:

76113876

Reduced:

N2O3C17H26 (1)

Stoich.:

A2B3C17D26 (1)

Weight, g/mol:

1221.954273

ΔHf, kcal/mol:

-156.94

Dipole, Da:

2.39

IP(EA), eV:

 -9.33(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-amino-1-[[1-[[4,5-dihydroxy-6-(hydroxymethyl)-2-[octadec-9-enoyl(octadecyl)amino]oxan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-N-[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)CCC1=CC=CC=C1)(NC(=O)C)O

DOS

IR

Vibrations