Geometry & MOs

Info

ID:	311052
PubChem CID:	126588964
Reduced:	NOSC23H29 (1)
Stoich.:	ABCD23E29 (1)
Weight, g/mol:	361.126713
ΔH_f, kcal/mol:	-5.59
Dipole, Da:	6.57
IP(EA), eV:	-8.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]propanethioamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2NC(=S)CC)C3CC3)C

DOS

IR

Vibrations