Geometry & MOs

Info

ID:

229360

PubChem CID:

87567475

Reduced:

ClPSF2N2O6C26H28 (1)

Stoich.:

ABCD2E2F6G26H28 (1)

Weight, g/mol:

652.191672

ΔHf, kcal/mol:

-356.04

Dipole, Da:

5.03

IP(EA), eV:

 -9.33(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[3-(4-chlorophenoxy)propylamino]-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations