Geometry & MOs

Info

ID:	311028
PubChem CID:	126588854
Reduced:	NSO2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	455.0416
ΔH_f, kcal/mol:	-75.5
Dipole, Da:	3.1
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-iodophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2NC(=O)SC)C)C

DOS

IR

Vibrations