Geometry & MOs

Info

ID:	383119
PubChem CID:	134974669
Reduced:	N2O2C13H15 (2)
Stoich.:	A2B2C13D15 (2)
Weight, g/mol:	505.232519
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	6.69
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(1-methyltriazol-4-yl)methylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CN(N=N1)C[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations