Geometry & MOs

Info

ID:

179550

PubChem CID:

76496216

Reduced:

N2O9C56H94 (1)

Stoich.:

A2B9C56D94 (1)

Weight, g/mol:

438.222683

ΔHf, kcal/mol:

-546.24

Dipole, Da:

5.89

IP(EA), eV:

 -9.36(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-amino-5-[[amino(nitramido)methylidene]amino]-1-oxopentan-2-yl]-N-[[4-(hydroxymethyl)phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O

DOS

IR

Vibrations