Geometry & MOs

Info

ID:	217397
PubChem CID:	85087757
Reduced:	F2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-165.09
Dipole, Da:	5.04
IP(EA), eV:	-9.47(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(1,4-dioxonaphthalen-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C(C(C2=CC=C(C=C2)C3=CC=C(C=C3)F)C(=O)O)N)F

DOS

IR

Vibrations