Geometry & MOs

Info

ID:	137148
PubChem CID:	52159563
Reduced:	ClSN4O4C17H17 (1)
Stoich.:	ABC4D4E17F17 (1)
Weight, g/mol:	398.114568
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	6.77
IP(EA), eV:	-9.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)[C@]2(C(=O)NC3=C(O2)C=CC(=C3)Cl)C)C(=O)N(C)C

DOS

IR

Vibrations