Geometry & MOs

Info

ID:	69321
PubChem CID:	46530681
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	439.149183
ΔH_f, kcal/mol:	-121.45
Dipole, Da:	6.43
IP(EA), eV:	-8.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C/C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)OC)OC

DOS

IR

Vibrations