Geometry & MOs

Info

ID:	73011
PubChem CID:	48416800
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	379.077282
ΔH_f, kcal/mol:	-0.54
Dipole, Da:	3.48
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations