Geometry & MOs

Info

ID:	181960
PubChem CID:	76821243
Reduced:	O3F4N4C23H26 (1)
Stoich.:	A3B4C4D23E26 (1)
Weight, g/mol:	488.182648
ΔH_f, kcal/mol:	-311.62
Dipole, Da:	5.65
IP(EA), eV:	-8.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-methylanilino)-2,6-dioxo-1,3,5-triazinan-1-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)N1C(=O)NC(N(C1=O)CC2=CC=C(C=C2)F)NC3=CC(=C(C=C3)OC(C)C)C(F)(F)F

DOS

IR

Vibrations