Geometry & MOs

Info

ID:	244493
PubChem CID:	99355736
Reduced:	SO2N6C23H24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	452.097683
ΔH_f, kcal/mol:	32.71
Dipole, Da:	11.01
IP(EA), eV:	-8.5(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-phenylethyl)pyrazol-3-yl]-4-(thiophen-2-ylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)NC3=CC=NN3CCC4=CC=CC=C4)C

DOS

IR

Vibrations