Geometry & MOs

Info

ID:

214738

PubChem CID:

85083504

Reduced:

N2O5C37H38 (1)

Stoich.:

A2B5C37D38 (1)

Weight, g/mol:

588.3523

ΔHf, kcal/mol:

-124.26

Dipole, Da:

5.35

IP(EA), eV:

 -9.25(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[N'-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(3-methylbut-2-enyl)carbamate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(CC(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations