Geometry & MOs

Info

ID:	310955
PubChem CID:	126588599
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	349.090328
ΔH_f, kcal/mol:	-101.47
Dipole, Da:	2.87
IP(EA), eV:	-8.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[5-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)OCC)NC(=O)SC)C

DOS

IR

Vibrations