Geometry & MOs

Info

ID:	312179
PubChem CID:	126603470
Reduced:	SN3O3C20H26 (2)
Stoich.:	AB3C3D20E26 (2)
Weight, g/mol:	232.160935
ΔH_f, kcal/mol:	-210.93
Dipole, Da:	7.66
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-ethyl-5-[methyl(sulfanyl)amino]hexan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)COC(=O)CC(C(=O)NC(CCC(CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)CC3=CC=CC=C3)NC(=O)N(C)CC4=CSC(=N4)C(C)C

DOS

IR

Vibrations