Geometry & MOs

Info

ID:	449978
PubChem CID:	135302917
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	286.132885
ΔH_f, kcal/mol:	-1.41
Dipole, Da:	5.47
IP(EA), eV:	-8.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-(5-fluoropyridin-2-yl)-1,3-dihydroxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CO)(C1=CC=CC=C1)NC(=O)C2CCN(CC23CC3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations