Geometry & MOs

Info

ID:	419760
PubChem CID:	135108976
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	369.125946
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	7.99
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1C(=O)N(CCN1C(=O)CSC2=NC=CC(=N2)C)C

DOS

IR

Vibrations