Geometry & MOs

Info

ID:	310989
PubChem CID:	126588710
Reduced:	NSO2F4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	405.09396
ΔH_f, kcal/mol:	-255.12
Dipole, Da:	4.32
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-bromo-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2NC(=S)OCF)C(F)(F)F)C

DOS

IR

Vibrations