Geometry & MOs

Info

ID:	345826
PubChem CID:	127270126
Reduced:	SN2O4C20H34 (1)
Stoich.:	AB2C4D20E34 (1)
Weight, g/mol:	376.193297
ΔH_f, kcal/mol:	-212.8
Dipole, Da:	4.38
IP(EA), eV:	-8.79(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-methyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCC(CC1)C(=O)N2CCSCC2)OCC3CCCCO3

DOS

IR

Vibrations