Geometry & MOs

Info

ID:	421227
PubChem CID:	135115621
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	419.142739
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	2.69
IP(EA), eV:	-9.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations