Geometry & MOs

Info

ID:	160021
PubChem CID:	57304390
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	4.62
IP(EA), eV:	-8.45(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(azepan-2-ylmethyl)pyridin-2-yl]-2-hydroxybut-2-enyl]-2-(furan-3-ylmethylsulfinyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(CCC(=O)O)C1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations