Geometry & MOs

Info

ID:	306690
PubChem CID:	125165339
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	5.21
IP(EA), eV:	-8.6(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-2-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1NC(=O)N2CC[C@H](C2)C(=O)NCC

DOS

IR

Vibrations