Geometry & MOs

Info

ID:	425596
PubChem CID:	135126840
Reduced:	SN2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	423.124192
ΔH_f, kcal/mol:	29.25
Dipole, Da:	4.94
IP(EA), eV:	-8.8(0.06)
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]-3,4-dihydro-2H-chromene-8-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)SC3=NCN4C(C23)NNC4S

DOS

IR

Vibrations