Geometry & MOs

Info

ID:	143371
PubChem CID:	53198130
Reduced:	OSN5C25H27 (1)
Stoich.:	ABC5D25E27 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	54.78
Dipole, Da:	2.25
IP(EA), eV:	-8.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)SC(=N3)N4CCC(CC4)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations