Geometry & MOs

Info

ID:

447733

PubChem CID:

135285202

Reduced:

N6O16C53H98 (1)

Stoich.:

A6B16C53D98 (1)

Weight, g/mol:

480.294785

ΔHf, kcal/mol:

-840.84

Dipole, Da:

11.43

IP(EA), eV:

 -9.38(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-aminopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl-[3-(phenylmethoxycarbonylamino)propyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CCCCNC(=O)CCOCCOCCNC(=O)CCOCCOCCNC(=O)CCC(=O)NCCONC(=O)OC(C)(C)C)NC(=O)CCCCCCCCCCCCCCCCC(=O)O

DOS

IR

Vibrations