Geometry & MOs

Info

ID:

409034

PubChem CID:

135081808

Reduced:

N5O6C14H17 (1)

Stoich.:

A5B6C14D17 (1)

Weight, g/mol:

616.308144

ΔHf, kcal/mol:

-100.65

Dipole, Da:

9.05

IP(EA), eV:

 -10.25(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[[[[amino-[(4-hydroxyphenyl)methyl]carbamoyl]amino]carbamoylamino]carbamoyl-benzylamino]carbamoylamino]-N-(2-methylpropyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](CN=[N+]=[N-])NC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations