Geometry & MOs

Info

ID:	353322
PubChem CID:	127284651
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	5.51
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CC1COCCN1CCNC(=O)C2CCCN2C3=C4C=CSC4=NC=N3

DOS

IR

Vibrations