Geometry & MOs

Info

ID:	199944
PubChem CID:	79321899
Reduced:	SN3O3H11C14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	357.97646
ΔH_f, kcal/mol:	-54.01
Dipole, Da:	3.94
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-bromo-4,6-difluorophenyl)carbamoyl]pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=CN3CC(=O)O

DOS

IR

Vibrations