Geometry & MOs

Info

ID:	199943
PubChem CID:	79321898
Reduced:	FN2O4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	301.052112
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	7.61
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzothiazol-2-ylcarbamoyl)pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC=CN2CC(=O)O)F

DOS

IR

Vibrations