Geometry & MOs

Info

ID:	324905
PubChem CID:	126678573
Reduced:	SN3O4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	449.350509
ΔH_f, kcal/mol:	-165.45
Dipole, Da:	8.67
IP(EA), eV:	-9.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3-cyclodecyl-3-oxopropyl)-2,8-dioxononan-5-yl]pentanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)O

DOS

IR

Vibrations