Geometry & MOs

Info

ID:	228999
PubChem CID:	87566751
Reduced:	FSN3O4C27H32 (1)
Stoich.:	ABC3D4E27F32 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-133.92
Dipole, Da:	2.73
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(6-chloro-2-methylpyridin-3-yl)methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=N1)/C=C\2/CN(CC[C@H]2SC(=O)C)[C@H](C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations