Geometry & MOs

Info

ID:	381526
PubChem CID:	134972289
Reduced:	NSi2O7C27H49 (1)
Stoich.:	AB2C7D27E49 (1)
Weight, g/mol:	434.176106
ΔH_f, kcal/mol:	-417.7
Dipole, Da:	6.44
IP(EA), eV:	-8.79(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-3-(4-chlorophenyl)-4-cyano-4-(methylamino)-4-naphthalen-2-ylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O)COCC2=CC=C(C=C2)OC)N

DOS

IR

Vibrations