Geometry & MOs

Info

ID:	325672
PubChem CID:	126684424
Reduced:	O7C20H34 (1)
Stoich.:	A7B20C34 (1)
Weight, g/mol:	447.137654
ΔH_f, kcal/mol:	-333.29
Dipole, Da:	2.14
IP(EA), eV:	-10.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-2-ethyl-4-[4-(5-fluoro-1H-indol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxybutyl] sulfamate

Drug info:

PubChemData

Smile

CCC(C)(CCOC=O)C(C)(CC)OC(=O)/C=C/C(=O)OCCOC(C)C

DOS

IR

Vibrations