Geometry & MOs

Info

ID:	151749
PubChem CID:	56310456
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	3.62
IP(EA), eV:	-8.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations