Geometry & MOs

Info

ID:	406290
PubChem CID:	135077128
Reduced:	BrO3C18H33 (1)
Stoich.:	AB3C18D33 (1)
Weight, g/mol:	274.149284
ΔH_f, kcal/mol:	-197.16
Dipole, Da:	3.73
IP(EA), eV:	-10.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E,3S)-6-cyano-4,4-difluoro-2-methylhex-5-en-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(CCCCCCCCCCCBr)CC(=O)CC(=O)OC

DOS

IR

Vibrations