Geometry & MOs

Info

ID:	325674
PubChem CID:	126684427
Reduced:	NF3C16H24 (1)
Stoich.:	AB3C16D24 (1)
Weight, g/mol:	463.108103
ΔH_f, kcal/mol:	-186.68
Dipole, Da:	6.58
IP(EA), eV:	-8.73(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-4-[4-(6-chloro-1H-indol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-ethyl-3-hydroxybutyl] sulfamate

Drug info:

PubChemData

Smile

CCCCCC(CCC)NC1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations