Geometry & MOs

Info

ID:	378403
PubChem CID:	134224483
Reduced:	NO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	455.079444
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	4.13
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-4-[(1S)-4,4-difluoro-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-2-fluorophenyl]sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(C3=CC=CC=C32)COC(=O)N4CCC[C@H]4C=O

DOS

IR

Vibrations