Geometry & MOs

Info

ID:

214732

PubChem CID:

85083495

Reduced:

N5O7C31H33 (1)

Stoich.:

A5B7C31D33 (1)

Weight, g/mol:

587.315535

ΔHf, kcal/mol:

-243.8

Dipole, Da:

7.25

IP(EA), eV:

 -9.98(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-(diaminomethylideneamino)-N-[1-[[6-(diaminomethylideneamino)-2-oxo-1-(2,2,2-trifluoroethoxy)hexan-3-yl]amino]-1-oxo-4-phenylbutan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CC(C(C(=O)N)NC(=O)C(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations