Geometry & MOs

Info

ID:	61515
PubChem CID:	26710134
Reduced:	ClSN2O5C23H25 (1)
Stoich.:	ABC2D5E23F25 (1)
Weight, g/mol:	388.99305
ΔH_f, kcal/mol:	-168.71
Dipole, Da:	4.88
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations