Geometry & MOs

Info

ID:	359268
PubChem CID:	127297802
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-49.42
Dipole, Da:	7.78
IP(EA), eV:	-8.46(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-4-oxo-N-phenyl-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)NC3CCN(CC3)C)C

DOS

IR

Vibrations