Geometry & MOs

Info

ID:	244304
PubChem CID:	99319767
Reduced:	SN3O3C26H31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	6.41
IP(EA), eV:	-9.22(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)N[C@@H](C)C3=C(N(N=C3)C4=CC=CC=C4)C)C

DOS

IR

Vibrations