Geometry & MOs

Info

ID:	229758
PubChem CID:	87568828
Reduced:	ClSN4O5H21C23 (1)
Stoich.:	ABC4D5E21F23 (1)
Weight, g/mol:	632.246295
ΔH_f, kcal/mol:	-94.32
Dipole, Da:	3.71
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)COC=O)CC2=COC3=C2C=CC(=C3)OC4=NC5=C(S4)C=C(C=N5)Cl

DOS

IR

Vibrations