Geometry & MOs

Info

ID:	70835
PubChem CID:	48413932
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-26.05
Dipole, Da:	3.73
IP(EA), eV:	-8.74(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CN2C(=O)CSC3=CC=CC=C32

DOS

IR

Vibrations