Geometry & MOs

Info

ID:	310891
PubChem CID:	126588370
Reduced:	NF2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	429.02097
ΔH_f, kcal/mol:	-207.55
Dipole, Da:	4.49
IP(EA), eV:	-9.07(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-bromo-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2NC(=O)OC)C)C(F)F

DOS

IR

Vibrations