Geometry & MOs

Info

ID:	312054
PubChem CID:	126602166
Reduced:	SN3O6C15H22 (1)
Stoich.:	AB3C6D15E22 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	13.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.843028
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-3,3-dimethylbutan-2-yl] carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCOCCOCCOCCN=[N+]=[N-]

DOS

IR

Vibrations