Geometry & MOs

Info

ID:	425676
PubChem CID:	135127314
Reduced:	F2N3O6C20H21 (1)
Stoich.:	A2B3C6D20E21 (1)
Weight, g/mol:	411.087806
ΔH_f, kcal/mol:	-314.71
Dipole, Da:	7.95
IP(EA), eV:	-9.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=C(C=C2)C(=O)NC3=NC(=O)N(C=C3)C4C([C@H](C(O4)CO)O)(F)F)C

DOS

IR

Vibrations