Geometry & MOs

Info

ID:	383118
PubChem CID:	134974668
Reduced:	NSO2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	462.226705
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	4.62
IP(EA), eV:	-7.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-methyltriazol-1-yl)butanoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2[C@H]1C3=C(C(=CC(=C3)C)OC)N=[S+]2(C4=CC=CC=C4)[O-]

DOS

IR

Vibrations