Geometry & MOs

Info

ID:	62641
PubChem CID:	26732599
Reduced:	SO3N4H20C26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	395.052028
ΔH_f, kcal/mol:	39.13
Dipole, Da:	6.1
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(furan-2-ylmethylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C#N

DOS

IR

Vibrations