Geometry & MOs

Info

ID:	397737
PubChem CID:	135030650
Reduced:	BrNO7C25H32 (1)
Stoich.:	ABC7D25E32 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-278.75
Dipole, Da:	5.95
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4R)-5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-phenylpentanoate

Drug info:

PubChemData

Smile

C[C@H](CCC[C@H]1[C@@H](O1)CBr)/C(=C/2\C(=O)[C@@H](N(C2=O)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)O)/O

DOS

IR

Vibrations