Geometry & MOs

Info

ID:	68686
PubChem CID:	46508895
Reduced:	BrN4O4H21C23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	8.81
IP(EA), eV:	-9.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C(\C#N)/C(=O)OC(C)C(=O)NC3=CC(=NO3)C

DOS

IR

Vibrations