Geometry & MOs

Info

ID:	184959
PubChem CID:	77234555
Reduced:	SO5N6C20H24 (1)
Stoich.:	AB5C6D20E24 (1)
Weight, g/mol:	604.202096
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	2.95
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[1-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropan-2-yl]oxy-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]azetidine-1-sulfonamide

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=NC3=C(N=CN=C32)NC4CCC5=CC=CC=C45)CNS(=O)O)O)O

DOS

IR

Vibrations