Geometry & MOs

Info

ID:	122470
PubChem CID:	50808244
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-30.17
Dipole, Da:	7.0
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[methyl-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]amino]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)SC4=CC=CC=C4C1=O

DOS

IR

Vibrations