Geometry & MOs

Info

ID:	425482
PubChem CID:	135126478
Reduced:	BrFSN3O4C14H17 (1)
Stoich.:	ABCD3E4F14G17 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	-150.19
Dipole, Da:	4.39
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(cyanomethyl)-1-bicyclo[2.2.2]octanyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1(C2(CC2)S(N(C(=N1)NC(=O)O)C)(O)O)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations