Geometry & MOs

Info

ID:	390859
PubChem CID:	135001308
Reduced:	SiO4N5C29H35 (1)
Stoich.:	AB4C5D29E35 (1)
Weight, g/mol:	459.240959
ΔH_f, kcal/mol:	-121.56
Dipole, Da:	5.08
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1,3-benzodioxol-5-yl)-3-[benzyl-[(1R)-1-phenylethyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(CC(=O)NC(=O)C1=CC=CC=C1)N2C=NC3=C2N=CN=C3OCC4=CC=CC=C4

DOS

IR

Vibrations