Geometry & MOs

Info

ID:

184471

PubChem CID:

77164689

Reduced:

N3O4C30H47 (1)

Stoich.:

A3B4C30D47 (1)

Weight, g/mol:

544.079503

ΔHf, kcal/mol:

-171.02

Dipole, Da:

5.65

IP(EA), eV:

 -8.88(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1CC(CC(=O)N1)C2CCNCC2C(=O)N(CC3=CC(=CC(=C3)CCCOC)CCCOC)C4CC4

DOS

IR

Vibrations