Geometry & MOs

Info

ID:	427042
PubChem CID:	135155191
Reduced:	ON2C9H10 (3)
Stoich.:	AB2C9D10 (3)
Weight, g/mol:	486.237939
ΔH_f, kcal/mol:	-35.36
Dipole, Da:	3.16
IP(EA), eV:	-8.3(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[2-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]anilino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC2=CC(=CC=C2)NC(=O)C=C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C

DOS

IR

Vibrations