Geometry & MOs

Info

ID:	136277
PubChem CID:	52010642
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-69.38
Dipole, Da:	3.44
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-ethyl-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

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CCN1C2=CC=CC=C2O[C@@](C1=O)(C)C(=O)N(C)CC3=CC=CS3

DOS

IR

Vibrations