Geometry & MOs

Info

ID:	411630
PubChem CID:	135084462
Reduced:	ClNSO2F3H7C8 (1)
Stoich.:	ABCD2E3F7G8 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-213.28
Dipole, Da:	2.73
IP(EA), eV:	-9.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-propa-1,2-dienylpyridin-2-yl)carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNS(=O)(=O)C(F)(F)F)Cl

DOS

IR

Vibrations