Geometry & MOs

Info

ID:	228993
PubChem CID:	87566712
Reduced:	N2O6C27H34 (1)
Stoich.:	A2B6C27D34 (1)
Weight, g/mol:	482.241687
ΔH_f, kcal/mol:	-209.98
Dipole, Da:	2.53
IP(EA), eV:	-8.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-4-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazol-5-yl]-2-hydroxy-3-methylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CC(C)(NC(=O)OC(C)(C)C)O)C1=CC2=C(C=C1)OC(=N2)/C=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations