Geometry & MOs

Info

ID:

377286

PubChem CID:

134223334

Reduced:

NOH15C26 (2)

Stoich.:

ABC15D26 (2)

Weight, g/mol:

842.447932

ΔHf, kcal/mol:

174.93

Dipole, Da:

2.16

IP(EA), eV:

 -8.0(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethylhexyl 4-[[4-[4-[[4-(2-ethylhexoxycarbonyl)phenyl]carbamoyl]anilino]-6-[4-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC=C9)C1=C2C=C2C(=C1)C1=C(O2)C2=CC=CC=C2C=C1

DOS

IR

Vibrations