Geometry & MOs

Info

ID:	32812
PubChem CID:	7848603
Reduced:	ClFSN2O4H14C18 (1)
Stoich.:	ABCD2E4F14G18 (1)
Weight, g/mol:	424.146821
ΔH_f, kcal/mol:	-169.41
Dipole, Da:	6.67
IP(EA), eV:	-9.07(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl)NC1=O

DOS

IR

Vibrations