Geometry & MOs

Info

ID:	129615
PubChem CID:	51073298
Reduced:	BrSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	321.132471
ΔH_f, kcal/mol:	-39.2
Dipole, Da:	1.85
IP(EA), eV:	-9.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)CN2C=C(C=CC2=O)Br

DOS

IR

Vibrations