Geometry & MOs

Info

ID:	137279
PubChem CID:	52183000
Reduced:	O2N5C21H34 (1)
Stoich.:	A2B5C21D34 (1)
Weight, g/mol:	362.11227
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	4.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752971
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(thiophen-3-ylmethylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)NCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations