Geometry & MOs

Info

ID:	137146
PubChem CID:	52159502
Reduced:	ClO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	408.065904
ΔH_f, kcal/mol:	-58.31
Dipole, Da:	6.06
IP(EA), eV:	-8.91(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-chloro-N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=C(C(=N2)C)NC(=O)[C@@]3(C(=O)NC4=C(O3)C=CC(=C4)Cl)C)C

DOS

IR

Vibrations