Geometry & MOs

Info

ID:

381116

PubChem CID:

134971764

Reduced:

N4O4C21H44 (1)

Stoich.:

A4B4C21D44 (1)

Weight, g/mol:

705.50405

ΔHf, kcal/mol:

-251.21

Dipole, Da:

4.15

IP(EA), eV:

 -8.99(0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-[[(2S)-2-(butanoylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]butyl]-N-[3-[3-(methylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCCN)CCCN(CCCNC)C(=O)OC(C)(C)C

DOS

IR

Vibrations