Geometry & MOs

Info

ID:	137149
PubChem CID:	52159582
Reduced:	ClO3N4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	398.114568
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	4.25
IP(EA), eV:	-8.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1NC(=O)[C@@]3(C(=O)NC4=C(O3)C=CC(=C4)Cl)C

DOS

IR

Vibrations