Geometry & MOs

Info

ID:	178774
PubChem CID:	76380822
Reduced:	NO6C10H11 (1)
Stoich.:	AB6C10D11 (1)
Weight, g/mol:	425.09502
ΔH_f, kcal/mol:	-239.59
Dipole, Da:	4.9
IP(EA), eV:	-9.15(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(3-bromo-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=C(O)O)C1C(=O)O)C(=O)O)C

DOS

IR

Vibrations