Geometry & MOs

Info

ID:	310934
PubChem CID:	126588543
Reduced:	BrNSO2C18H20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	317.142722
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	5.57
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)Br)NC(=S)OC)C

DOS

IR

Vibrations