Geometry & MOs

Info

ID:	137138
PubChem CID:	52157934
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	305.113747
ΔH_f, kcal/mol:	-57.89
Dipole, Da:	7.86
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)NC(=O)[C@]2(C(=O)NC3=CC=CC=C3O2)C

DOS

IR

Vibrations