Geometry & MOs

Info

ID:	224702
PubChem CID:	85346987
Reduced:	NSi2O5C21H43 (1)
Stoich.:	AB2C5D21E43 (1)
Weight, g/mol:	445.151682
ΔH_f, kcal/mol:	-316.67
Dipole, Da:	3.78
IP(EA), eV:	-8.74(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-chloro-6-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-1,3,5-triazin-2-yl]amino]-1-phenylpropane-1,3-diol

Drug info:

PubChemData

Smile

CCOC(=O)C(C)C1C(C(C=[N+]1[O-])O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations