Geometry & MOs

Info

ID:	276168
PubChem CID:	103821039
Reduced:	SN4O4C15H18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	-102.02
Dipole, Da:	6.8
IP(EA), eV:	-9.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NN=C1CSCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations