Geometry & MOs

Info

ID:	138750
PubChem CID:	52419749
Reduced:	SN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	392.155849
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	3.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781023
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R)-1-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=C(C(=O)C=C(O2)CO)[O-])C3=NSC4=CC=CC=C43

DOS

IR

Vibrations