Geometry & MOs

Info

ID:	229486
PubChem CID:	87567820
Reduced:	BrNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	602.23573
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	3.76
IP(EA), eV:	-9.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)[C@H](CC1=CC=C(C=C1)Br)N

DOS

IR

Vibrations