Geometry & MOs

Info

ID:	332916
PubChem CID:	127251340
Reduced:	FO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	414.14741
ΔH_f, kcal/mol:	-37.16
Dipole, Da:	6.3
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl]-6-methylpyridin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CC3=C(ON=C3C)C)NC4=NC=C(C=C4)F

DOS

IR

Vibrations