Geometry & MOs

Info

ID:	182425
PubChem CID:	76887873
Reduced:	OSN3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	4.72
IP(EA), eV:	-8.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)NC(=O)C(CCSC)N

DOS

IR

Vibrations