Geometry & MOs

Info

ID:	63019
PubChem CID:	26738025
Reduced:	O2S2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	2.44
IP(EA), eV:	-8.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

DOS

IR

Vibrations