Geometry & MOs

Info

ID:

378278

PubChem CID:

134224354

Reduced:

FNO4C27H28 (1)

Stoich.:

ABC4D27E28 (1)

Weight, g/mol:

828.432282

ΔHf, kcal/mol:

-128.57

Dipole, Da:

4.43

IP(EA), eV:

 -8.94(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=C2C(=C1)OC(=C2C(NC)O)C3=CC=C(C=C3)F)C(=C)/C=C(\C=C)/C(=O)O

DOS

IR

Vibrations