Geometry & MOs

Info

ID:	326822
PubChem CID:	126688294
Reduced:	F2O3N5C26H29 (1)
Stoich.:	A2B3C5D26E29 (1)
Weight, g/mol:	353.158685
ΔH_f, kcal/mol:	-138.12
Dipole, Da:	4.93
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitroanilino]propyl acetate

Drug info:

PubChemData

Smile

C1CC1CN2CCN(C(=O)C2)C3=CC4=C(C=C3)N(C(=N4)NC(=O)C5=CC=CC(=C5)C(F)F)CCCO

DOS

IR

Vibrations