Geometry & MOs

Info

ID:	331219
PubChem CID:	127248626
Reduced:	ClO2N5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	429.127089
ΔH_f, kcal/mol:	-0.74
Dipole, Da:	6.64
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]pyrimidin-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC=NC=C2C3=CC(=NC=C3)N)C(=O)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations