Geometry & MOs

Info

ID:	33573
PubChem CID:	7887039
Reduced:	OS2F3N3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	413.169919
ΔH_f, kcal/mol:	-135.71
Dipole, Da:	6.77
IP(EA), eV:	-9.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)carbamoyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations