Geometry & MOs

Info

ID:	132835
PubChem CID:	51429764
Reduced:	SF2O2N3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	375.143035
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	1.94
IP(EA), eV:	-8.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-amino-4-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1OC(F)F)SC2=NC3=CC=CC=C3N2CC=C

DOS

IR

Vibrations