Geometry & MOs

Info

ID:	63223
PubChem CID:	26750205
Reduced:	BrNO5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	383.07322
ΔH_f, kcal/mol:	-138.98
Dipole, Da:	6.97
IP(EA), eV:	-8.51(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations