Geometry & MOs

Info

ID:	153011
PubChem CID:	56312126
Reduced:	SO3N5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-49.19
Dipole, Da:	4.25
IP(EA), eV:	-8.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=CC(=O)N4C(=N3)SC(=N4)C

DOS

IR

Vibrations