Geometry & MOs

Info

ID:	416319
PubChem CID:	135089332
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	332.13184
ΔH_f, kcal/mol:	-119.75
Dipole, Da:	4.37
IP(EA), eV:	-8.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)CC4=CC=CS4)OC

DOS

IR

Vibrations