Geometry & MOs

Info

ID:	191852
PubChem CID:	78194793
Reduced:	PN4O8C22H31 (1)
Stoich.:	AB4C8D22E31 (1)
Weight, g/mol:	275.060529
ΔH_f, kcal/mol:	-372.36
Dipole, Da:	6.45
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-difluoro-5-nitrophenyl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(C)C(=O)OC)OC3=CC=CC(=C3)N(C)C

DOS

IR

Vibrations