Geometry & MOs

Info

ID:	51857
PubChem CID:	12014615
Reduced:	BrNO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	377.02627
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	4.35
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12S)-7-bromo-9-methoxy-14-oxo-11-oxa-3-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraene-3-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCC2=C(C=C(C3=C2[C@]4(C1)C=C[C@@H](C[C@@H]4O3)O)OC)Br

DOS

IR

Vibrations