Geometry & MOs

Info

ID:	310980
PubChem CID:	126588672
Reduced:	BrNSO2F3C19H19 (1)
Stoich.:	ABCD2E3F19G19 (1)
Weight, g/mol:	347.128821
ΔH_f, kcal/mol:	-193.5
Dipole, Da:	5.43
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2NC(=S)OC)C(F)(F)F)Br

DOS

IR

Vibrations