Geometry & MOs

Info

ID:	310827
PubChem CID:	126587943
Reduced:	BrFNO2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	355.1606
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	3.46
IP(EA), eV:	-8.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2F)CC(=O)NC)Br

DOS

IR

Vibrations