Geometry & MOs

Info

ID:	141223
PubChem CID:	52842035
Reduced:	BrClO2N3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	2.25
IP(EA), eV:	-9.06(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[methyl-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]amino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)CC2=CC=C(C=C2)CNC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations