Geometry & MOs

Info

ID:	61622
PubChem CID:	26711106
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	424.17467
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	10.96
IP(EA), eV:	-8.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-4-(3-nitro-4-piperidin-1-ylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations