Geometry & MOs

Info

ID:	137155
PubChem CID:	52159796
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	380.033062
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	3.86
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)NC2=C(O1)C=CC(=C2)Cl)C(=O)NCCC3=CC=C(C=C3)O

DOS

IR

Vibrations