Geometry & MOs

Info

ID:	416740
PubChem CID:	135090273
Reduced:	SN4O6C14H22 (1)
Stoich.:	AB4C6D14E22 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-251.37
Dipole, Da:	7.28
IP(EA), eV:	-9.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-ethyl-4-hydroxy-3-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCN2C=CC(=O)NC2=O

DOS

IR

Vibrations