Geometry & MOs

Info

ID:

437015

PubChem CID:

135213729

Reduced:

SN3O4C17H27 (1)

Stoich.:

AB3C4D17E27 (1)

Weight, g/mol:

1164.815094

ΔHf, kcal/mol:

-131.91

Dipole, Da:

7.3

IP(EA), eV:

 -8.39(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[4-(aminomethyl)-4-[2-[3-[2-[3-[[4-(aminomethyl)-4-[2-[3-[[3-[[4-(aminomethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]amino]propyl-methylamino]methyl]phenyl]ethyl]piperidine-1-carbonyl]amino]propylcarbamoyloxy]-2-methylpropyl]phenyl]ethyl]piperidine-1-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CCN1CCCC1CN=C(C2=C(C=CC(=C2)S(=O)(=O)N)OC)OCC

DOS

IR

Vibrations