Geometry & MOs

Info

ID:	271798
PubChem CID:	103692566
Reduced:	NSO4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-149.37
Dipole, Da:	3.72
IP(EA), eV:	-8.89(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CC1CCSCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations