Geometry & MOs

Info

ID:	245211
PubChem CID:	99437900
Reduced:	O2S2N5C19H23 (1)
Stoich.:	A2B2C5D19E23 (1)
Weight, g/mol:	488.05177
ΔH_f, kcal/mol:	20.74
Dipole, Da:	6.34
IP(EA), eV:	-9.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfonylamino]-N-(2-cyclopentylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSCCC(=O)N[C@H](C2=NC(=NO2)C3=CN=CC=C3)C(C)C

DOS

IR

Vibrations