Geometry & MOs

Info

ID:	47257
PubChem CID:	10530991
Reduced:	ClN4O6C29H29 (1)
Stoich.:	AB4C6D29E29 (1)
Weight, g/mol:	564.94934
ΔH_f, kcal/mol:	-185.21
Dipole, Da:	8.5
IP(EA), eV:	-8.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dibromo-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C4=C3N=C(N=C4Cl)N)CCO)OC(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations