Geometry & MOs

Info

ID:	218061
PubChem CID:	85088807
Reduced:	OC30H48 (1)
Stoich.:	AB30C48 (1)
Weight, g/mol:	426.071795
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	5.43
IP(EA), eV:	-9.64(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]phenyl]-1-methoxy-1-methylurea

Drug info:

PubChemData

Smile

CC1=CC(=O)CC2C1(CCC3C2(CCC4(C3(CCC5(C4CCC5C(C)C)C)C)C)C)C

DOS

IR

Vibrations