Geometry & MOs

Info

ID:	338679
PubChem CID:	127259690
Reduced:	BrSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	443.12084
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	7.34
IP(EA), eV:	-8.79(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-5-bromo-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC4=CSC=C4)Br)N

DOS

IR

Vibrations