Geometry & MOs

Info

ID:	234478
PubChem CID:	92298521
Reduced:	OSN5C10H17 (1)
Stoich.:	ABC5D10E17 (1)
Weight, g/mol:	521.016817
ΔH_f, kcal/mol:	15.32
Dipole, Da:	6.37
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(1R)-1-(butanoylamino)-2,2,2-trichloroethyl]carbamothioylamino]-4-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)CSC2=NN=NN2C

DOS

IR

Vibrations