Geometry & MOs

Info

ID:	431121
PubChem CID:	135171191
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	319.124215
ΔH_f, kcal/mol:	-32.24
Dipole, Da:	2.66
IP(EA), eV:	-8.91(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-(5-oxo-2H-thiopyran-3-yl)carbamate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)F

DOS

IR

Vibrations