Geometry & MOs

Info

ID:	391572
PubChem CID:	135006605
Reduced:	NSF3O3H10C11 (1)
Stoich.:	ABC3D3E10F11 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-222.65
Dipole, Da:	15.34
IP(EA), eV:	-10.22(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-chloropyrimidin-4-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C[N+]2=CC=CC=C12.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations