Geometry & MOs

Info

ID:	193883
PubChem CID:	78450592
Reduced:	ClSO2N3C19H26 (1)
Stoich.:	ABC2D3E19F26 (1)
Weight, g/mol:	385.107399
ΔH_f, kcal/mol:	-88.48
Dipole, Da:	8.05
IP(EA), eV:	-8.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1CCC2CC(C(=O)NC2C1)CCNC(=S)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations