Geometry & MOs

Info

ID:	169037
PubChem CID:	75057839
Reduced:	ClSN3O4C31H34 (1)
Stoich.:	ABC3D4E31F34 (1)
Weight, g/mol:	366.132805
ΔH_f, kcal/mol:	-111.95
Dipole, Da:	8.38
IP(EA), eV:	-9.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2C(C=C(C2C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CC=CC=C4)C(=O)N)C(C)(C)C

DOS

IR

Vibrations