Geometry & MOs

Info

ID:	423447
PubChem CID:	135119519
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	359.139368
ΔH_f, kcal/mol:	-120.34
Dipole, Da:	6.71
IP(EA), eV:	-8.66(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H]2CC[C@@H]1N2S(=O)(=O)C)C(=O)NCCN3C=NC(=C3C)C

DOS

IR

Vibrations