Geometry & MOs

Info

ID:	444755
PubChem CID:	135263431
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	-39.79
Dipole, Da:	3.84
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)-3-methylphenyl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CN=CS2)OCN(C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations