Geometry & MOs

Info

ID:	176644
PubChem CID:	76078942
Reduced:	SO4C6H12 (1)
Stoich.:	AB4C6D12 (1)
Weight, g/mol:	563.255084
ΔH_f, kcal/mol:	-183.72
Dipole, Da:	2.84
IP(EA), eV:	-9.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[7-chloro-1-[[2-(methylamino)-1-phenylpropoxy]amino]-1-oxoheptan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(CO)O)(C(=O)CS)O

DOS

IR

Vibrations