Geometry & MOs

Info

ID:	175412
PubChem CID:	75900989
Reduced:	SO2N4C26H33 (1)
Stoich.:	AB2C4D26E33 (1)
Weight, g/mol:	473.208134
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	10.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.101032
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-2-oxoethoxy)-3-chloro-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC1CC(C[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCN3C(=O)C4C=CC=CC4=NC3=S)C

DOS

IR

Vibrations