Geometry & MOs

Info

ID:	310927
PubChem CID:	126588507
Reduced:	ClNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	460.0347
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	2.02
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-iodophenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)N(C(=O)SC)O)C

DOS

IR

Vibrations