Geometry & MOs

Info

ID:	241029
PubChem CID:	93621250
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-56.55
Dipole, Da:	2.7
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-methylpyridin-2-yl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(NC(=N1)C(=O)NCCN2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations