Geometry & MOs

Info

ID:	311048
PubChem CID:	126588933
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	411.147985
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	2.59
IP(EA), eV:	-8.48(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-ethyl-N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2OCC)N(C)C(=O)CC)C

DOS

IR

Vibrations