Geometry & MOs

Info

ID:	158319
PubChem CID:	56463353
Reduced:	SO2N3C21H35 (1)
Stoich.:	AB2C3D21E35 (1)
Weight, g/mol:	334.207885
ΔH_f, kcal/mol:	-121.48
Dipole, Da:	8.87
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1CCCN(C1)C(=O)C2=C(N=C(S2)CC(C)C)C

DOS

IR

Vibrations