Geometry & MOs

Info

ID:

190795

PubChem CID:

78058389

Reduced:

N4O5C28H42 (1)

Stoich.:

A4B5C28D42 (1)

Weight, g/mol:

566.208924

ΔHf, kcal/mol:

-215.57

Dipole, Da:

3.24

IP(EA), eV:

 -9.24(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[[4-(difluoromethoxy)phenyl]methyl]-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4,6-dioxo-1,3,5-triazinan-2-yl]-4,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1CC2C(CC1OC)NC(NC2=O)N3CCC(CC3)(CC4CCC4)OC(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations