Geometry & MOs

Info

ID:	229139
PubChem CID:	87567043
Reduced:	PSF2N2O7C26H29 (1)
Stoich.:	ABC2D2E7F26G29 (1)
Weight, g/mol:	501.08398
ΔH_f, kcal/mol:	-386.65
Dipole, Da:	3.98
IP(EA), eV:	-8.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methylamino]-3-[(2-methylpropan-2-yl)oxy]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations