Geometry & MOs

Info

ID:	229972
PubChem CID:	87569746
Reduced:	FN2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	600.976968
ΔH_f, kcal/mol:	-15.84
Dipole, Da:	3.07
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-chloro-2-[[1-[(4-chloro-3-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpyrrole-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC1(CC(=CC=C1C2=CC=CC=C2)C3=NC(=NO3)C4=C(C=CC(=C4)F)OC)C=O

DOS

IR

Vibrations