Geometry & MOs

Info

ID:	150811
PubChem CID:	53790507
Reduced:	SBr2N2O2H12C19 (1)
Stoich.:	AB2C2D2E12F19 (1)
Weight, g/mol:	274.164105
ΔH_f, kcal/mol:	17.03
Dipole, Da:	3.43
IP(EA), eV:	-8.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[N-(ethoxymethylcarbamoyl)-N-methylcarbamimidoyl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC(=C(C(=C4)Br)O)Br

DOS

IR

Vibrations