Geometry & MOs

Info

ID:	61215
PubChem CID:	26707169
Reduced:	BrClN3O4H15C19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	420.03208
ΔH_f, kcal/mol:	-57.88
Dipole, Da:	2.17
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations