Geometry & MOs

Info

ID:	418153
PubChem CID:	135103717
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	3.09
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)C(=O)C(C)N2CCCC2

DOS

IR

Vibrations