Geometry & MOs

Info

ID:	342913
PubChem CID:	127266076
Reduced:	NSF3O3H12C13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	-225.64
Dipole, Da:	7.06
IP(EA), eV:	-9.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-methyl-3-[(pyridin-2-ylamino)carbamoyl]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CC(=C1)F)C(=O)C2=CC=CC=C2S(=O)(=O)C(F)F

DOS

IR

Vibrations