Geometry & MOs

Info

ID:	225708
PubChem CID:	87225381
Reduced:	SBr2N3O6C30H33 (1)
Stoich.:	AB2C3D6E30F33 (1)
Weight, g/mol:	203.96467
ΔH_f, kcal/mol:	-200.29
Dipole, Da:	2.94
IP(EA), eV:	-8.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-(1H-imidazol-2-yl)urea

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=CC(=C(C=C1Br)C(=O)NCCCN2CCC(CC2)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4)Br

DOS

IR

Vibrations