Geometry & MOs

Info

ID:	242864
PubChem CID:	99213495
Reduced:	ClNSO4C20H20 (1)
Stoich.:	ABCD4E20F20 (1)
Weight, g/mol:	486.172562
ΔH_f, kcal/mol:	-108.11
Dipole, Da:	4.31
IP(EA), eV:	-9.31(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

DOS

IR

Vibrations