Geometry & MOs

Info

ID:

168664

PubChem CID:

74999981

Reduced:

NO15C52H59 (1)

Stoich.:

AB15C52D59 (1)

Weight, g/mol:

605.332568

ΔHf, kcal/mol:

-537.75

Dipole, Da:

8.61

IP(EA), eV:

 -9.5(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[acetamido(benzyl)carbamoyl]-N-[6-(diaminomethylideneamino)-1,2-dioxo-1-(2-phenylethylamino)hexan-3-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)C(C)(C)C)C)OC(=O)C

DOS

IR

Vibrations