Geometry & MOs

Info

ID:	137139
PubChem CID:	52157987
Reduced:	N2O5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	306.121572
ΔH_f, kcal/mol:	-180.96
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782581
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)[O-])NC(=O)[C@]1(C(=O)NC2=CC=CC=C2O1)C

DOS

IR

Vibrations