Geometry & MOs

Info

ID:	311093
PubChem CID:	126589360
Reduced:	BrN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	373.171165
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	5.08
IP(EA), eV:	-8.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2Br)N(C)C(=O)NC)C

DOS

IR

Vibrations