Geometry & MOs

Info

ID:	305898
PubChem CID:	124973731
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	437.124564
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	3.9
IP(EA), eV:	-9.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CC[C@@H](C1)CC2=NC(=CC=C2)C3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations