Geometry & MOs

Info

ID:	177881
PubChem CID:	76249106
Reduced:	ClO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	458.11611
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	5.29
IP(EA), eV:	-9.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC1C(C(NC(=O)C1C#N)C)CCC(=O)NC2=C(C=CC(=C2)C(=O)N(C)C)Cl

DOS

IR

Vibrations