Geometry & MOs

Info

ID:	310951
PubChem CID:	126588590
Reduced:	NSO4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	5.38
IP(EA), eV:	-8.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C(=CC=C2)OCC)N(C(=S)OC)O)C

DOS

IR

Vibrations