Geometry & MOs

Info

ID:	311080
PubChem CID:	126589218
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	357.17625
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	3.05
IP(EA), eV:	-8.77(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C2C=CC=CC2CCCOC(=O)N

DOS

IR

Vibrations