Geometry & MOs

Info

ID:	44166
PubChem CID:	10501255
Reduced:	NSi2O4C19H39 (1)
Stoich.:	AB2C4D19E39 (1)
Weight, g/mol:	401.125467
ΔH_f, kcal/mol:	-319.56
Dipole, Da:	2.84
IP(EA), eV:	-8.99(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-benzamido-6-chloropurin-9-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@@]2(CCCN2C1=O)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations