Geometry & MOs

Info

ID:	193272
PubChem CID:	78367744
Reduced:	BrN2O2S2C22H23 (1)
Stoich.:	AB2C2D2E22F23 (1)
Weight, g/mol:	334.12772
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	3.46
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)amino]-2-oxoethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCSCC2NC3C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

DOS

IR

Vibrations