Geometry & MOs

Info

ID:	413227
PubChem CID:	135086174
Reduced:	BrSO2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	8.3
IP(EA), eV:	-9.39(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-pyridin-3-ylprop-2-ynyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(=C)C2=CC=C(C=C2)Br

DOS

IR

Vibrations