Geometry & MOs

Info

ID:	126278
PubChem CID:	50958123
Reduced:	FN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	3.0
IP(EA), eV:	-9.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]anilino]acetic acid

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=CC=CC=C1)NCC(=O)NCC2=CC=CC=C2F

DOS

IR

Vibrations