Geometry & MOs

Info

ID:

180388

PubChem CID:

76626822

Reduced:

SN2O4C28H30 (1)

Stoich.:

AB2C4D28E30 (1)

Weight, g/mol:

550.304287

ΔHf, kcal/mol:

-90.49

Dipole, Da:

3.69

IP(EA), eV:

 -9.1(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-N-(4-methyl-1-oxo-3,4,4a,5,6,7,8,8a-octahydrobenzo[d]oxazin-6-yl)-3-(3-methylphenyl)-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1C2CC(CCC2C(=O)ON1)NC(=O)C(CC3=CC=CC=C3)(C4=CC=C(C=C4)C5=CC=CS5)O

DOS

IR

Vibrations