Geometry & MOs

Info

ID:	163730
PubChem CID:	58874709
Reduced:	SF3N4O4H27C28 (1)
Stoich.:	AB3C4D4E27F28 (1)
Weight, g/mol:	659.245392
ΔH_f, kcal/mol:	-261.19
Dipole, Da:	4.94
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]pentanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations