Geometry & MOs

Info

ID:	217500
PubChem CID:	85087908
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-24.17
Dipole, Da:	1.74
IP(EA), eV:	-9.31(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[benzyl(1-phenylethyl)amino]-2-hydroxybutanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CC2(C3=CC=C(C=C3)C(=O)N)C(=O)NC4=NC=CS4

DOS

IR

Vibrations