Geometry & MOs

Info

ID:	437388
PubChem CID:	135226197
Reduced:	SO2N7C24H31 (1)
Stoich.:	AB2C7D24E31 (1)
Weight, g/mol:	267.067762
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	6.16
IP(EA), eV:	-8.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-4-methyl-1-phenylpyrazol-3-yl) methanesulfonate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NCCCNC(=O)C2=CCCS2)NC3=CC(=CC=C3)NC(=O)N4CCCC4

DOS

IR

Vibrations