Geometry & MOs

Info

ID:	311025
PubChem CID:	126588843
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	399.087134
ΔH_f, kcal/mol:	-109.99
Dipole, Da:	3.73
IP(EA), eV:	-8.31(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-chloro-2-[[2-(difluoromethyl)-4-ethyl-5-methylphenoxy]methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2OC)N(C(=O)NC)O)C

DOS

IR

Vibrations