Geometry & MOs

Info

ID:	228969
PubChem CID:	87566514
Reduced:	NO2F4H11C16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	648.24121
ΔH_f, kcal/mol:	-200.44
Dipole, Da:	5.37
IP(EA), eV:	-9.42(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-benzyl-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-1-[4-(3-hydroxyphenoxy)butylamino]-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)/C=C/C2=CN=C(C=C2)C(F)(F)F)F

DOS

IR

Vibrations