Geometry & MOs

Info

ID:	345847
PubChem CID:	127270147
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-161.91
Dipole, Da:	3.77
IP(EA), eV:	-8.86(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations