Geometry & MOs

Info

ID:	227499
PubChem CID:	87561862
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	462.112854
ΔH_f, kcal/mol:	-59.93
Dipole, Da:	3.57
IP(EA), eV:	-10.28(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C=C[C@@H]1C(O1)CCCCO

DOS

IR

Vibrations