Geometry & MOs

Info

ID:	310892
PubChem CID:	126588374
Reduced:	BrNSF2O2C18H18 (1)
Stoich.:	ABCD2E2F18G18 (1)
Weight, g/mol:	381.121021
ΔH_f, kcal/mol:	-138.54
Dipole, Da:	2.94
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Br)NC(=S)OC)C(F)F

DOS

IR

Vibrations