Geometry & MOs

Info

ID:	229175
PubChem CID:	87567118
Reduced:	FO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	499.157146
ΔH_f, kcal/mol:	0.63
Dipole, Da:	9.4
IP(EA), eV:	-8.33(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC[N+]1(CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C(=NC4=O)C=CC=C5F)N)/N3)[O-]

DOS

IR

Vibrations