Geometry & MOs

Info

ID:	311398
PubChem CID:	126591376
Reduced:	NO2F4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	400.160992
ΔH_f, kcal/mol:	-270.13
Dipole, Da:	4.69
IP(EA), eV:	-9.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(3R,4aR,7aS)-3,4a-difluoro-3-methyl-2-oxo-1,4,5,7-tetrahydrofuro[3,4-b]pyridin-7a-yl]-4-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=C(C(=C1)F)F)[C@]23COC[C@H]2CC(C(=O)N3)(CF)F

DOS

IR

Vibrations