Geometry & MOs

Info

ID:	417265
PubChem CID:	135091883
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	390.170333
ΔH_f, kcal/mol:	3.75
Dipole, Da:	3.09
IP(EA), eV:	-8.93(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(2-oxoazepan-3-yl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=NC(=CS3)C

DOS

IR

Vibrations