Geometry & MOs

Info

ID:	231228
PubChem CID:	87573075
Reduced:	OBr2N3H8F9C18 (1)
Stoich.:	AB2C3D8E9F18 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-416.03
Dipole, Da:	1.74
IP(EA), eV:	-9.37(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-methylphenyl)-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=C(C=C2Br)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Br)N)C#N

DOS

IR

Vibrations