Geometry & MOs

Info

ID:	272567
PubChem CID:	103747944
Reduced:	FCl2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	454.1021
ΔH_f, kcal/mol:	-5.26
Dipole, Da:	3.29
IP(EA), eV:	-8.89(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C(=CN=C1CNC2=C(C=CC(=C2)F)Cl)Cl

DOS

IR

Vibrations