Geometry & MOs

Info

ID:	311108
PubChem CID:	126589440
Reduced:	NSO2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	357.17625
ΔH_f, kcal/mol:	-48.26
Dipole, Da:	3.62
IP(EA), eV:	-8.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-ethoxy-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)OC)NC(=S)CC)C

DOS

IR

Vibrations