Geometry & MOs

Info

ID:	59246
PubChem CID:	24775821
Reduced:	FN2S2O4H15C22 (1)
Stoich.:	AB2C2D4E15F22 (1)
Weight, g/mol:	405.191323
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	9.46
IP(EA), eV:	-9.05(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)NC4=CC=CC=C4C(=O)O

DOS

IR

Vibrations