Geometry & MOs

Info

ID:	244358
PubChem CID:	99344241
Reduced:	SO3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	6.36
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CN(N=C2)CC3=CC=NC=C3

DOS

IR

Vibrations