Geometry & MOs

Info

ID:	234539
PubChem CID:	92298641
Reduced:	ION2H23C29 (1)
Stoich.:	ABC2D23E29 (1)
Weight, g/mol:	542.08551
ΔH_f, kcal/mol:	88.56
Dipole, Da:	4.84
IP(EA), eV:	-7.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(12R,13R,17S)-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,15-hexaen-12-yl]phenyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC=C5)NC(=O)C6=CC=CC=C6I

DOS

IR

Vibrations