Geometry & MOs

Info

ID:	274539
PubChem CID:	103810056
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	244.160935
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	4.02
IP(EA), eV:	-8.97(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-4-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide

Drug info:

PubChemData

Smile

C=CCSCCNC(=O)C1=CC=C(O1)CN

DOS

IR

Vibrations