Geometry & MOs

Info

ID:	445497
PubChem CID:	135267387
Reduced:	NS2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	592.242116
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	3.42
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[5-fluoro-4-[1-hydroxy-1-(piperidin-4-ylamino)ethyl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)[C@@]1(CC1[C@](COCC2=CC=CC=C2)(C(=O)C)S)C(=O)C(NC)S

DOS

IR

Vibrations