Geometry & MOs

Info

ID:	159625
PubChem CID:	57288549
Reduced:	N2O3H6C13 (1)
Stoich.:	A2B3C6D13 (1)
Weight, g/mol:	559.271607
ΔH_f, kcal/mol:	-22.34
Dipole, Da:	2.17
IP(EA), eV:	-9.21(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-[4-[1-(1-amino-2-methyl-1-oxopropan-2-yl)sulfonylpiperidin-4-yl]-2-methylphenyl]phenoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2C=O)N=C=O)C(=C1)N=C=O

DOS

IR

Vibrations