Geometry & MOs

Info

ID:	46671
PubChem CID:	10526144
Reduced:	NOC3H4 (6)
Stoich.:	ABC3D4 (6)
Weight, g/mol:	420.148535
ΔH_f, kcal/mol:	-209.26
Dipole, Da:	4.28
IP(EA), eV:	-9.64(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-(5-fluoro-1,3-benzoxazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)[C@H](C(=O)N)O)OC(O4)(C)C

DOS

IR

Vibrations