Geometry & MOs

Info

ID:	327001
PubChem CID:	126688833
Reduced:	OF3N5H28C32 (1)
Stoich.:	AB3C5D28E32 (1)
Weight, g/mol:	447.199191
ΔH_f, kcal/mol:	-15.82
Dipole, Da:	4.26
IP(EA), eV:	-9.16(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)C5=CC=CC(=C5)C6CC6

DOS

IR

Vibrations