Geometry & MOs

Info

ID:	219536
PubChem CID:	85149149
Reduced:	SSiN2O9C25H34 (1)
Stoich.:	ABC2D9E25F34 (1)
Weight, g/mol:	564.284889
ΔH_f, kcal/mol:	-396.64
Dipole, Da:	8.3
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-N-[4-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C(C3(C=CS(=O)(=O)O3)C(O2)CO[Si](C)(C)C(C)(C)C)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations