Geometry & MOs

Info

ID:	419151
PubChem CID:	135107607
Reduced:	ClNSO3C18H26 (1)
Stoich.:	ABCD3E18F26 (1)
Weight, g/mol:	377.175084
ΔH_f, kcal/mol:	-143.44
Dipole, Da:	3.25
IP(EA), eV:	-9.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations