Geometry & MOs

Info

ID:	243512
PubChem CID:	99225645
Reduced:	SN3O4C24H35 (1)
Stoich.:	AB3C4D24E35 (1)
Weight, g/mol:	442.080319
ΔH_f, kcal/mol:	-196.84
Dipole, Da:	6.39
IP(EA), eV:	-9.48(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations