Geometry & MOs

Info

ID:	400592
PubChem CID:	135048434
Reduced:	BSC16H30 (1)
Stoich.:	ABC16D30 (1)
Weight, g/mol:	444.12407
ΔH_f, kcal/mol:	-22.48
Dipole, Da:	1.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754783
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(2S)-1-chloro-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

[B-](C1=CSC=C1)(C(C)CC)(C(C)CC)C(C)CC

DOS

IR

Vibrations