Geometry & MOs

Info

ID:	46610
PubChem CID:	10525571
Reduced:	SN3O6C18H23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-153.4
Dipole, Da:	4.63
IP(EA), eV:	-10.7(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-oxazol-5-ylmethyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(S1(=O)=O)CCCC

DOS

IR

Vibrations