Geometry & MOs

Info

ID:	184878
PubChem CID:	77223017
Reduced:	SO3N4C29H32 (1)
Stoich.:	AB3C4D29E32 (1)
Weight, g/mol:	526.074608
ΔH_f, kcal/mol:	-38.67
Dipole, Da:	4.85
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[2,4-dichloro-5-[3-ethyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]phenoxy]methyl]-4-methyl-2H-tetrazol-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N=C(S2)C)C(=O)N3C(CC4C3C4)CNC(=O)C5=CC=CC=C5N6CCOCC6

DOS

IR

Vibrations