Geometry & MOs

Info

ID:

327612

PubChem CID:

126690519

Reduced:

ClOS2N4C19H19 (1)

Stoich.:

ABC2D4E19F19 (1)

Weight, g/mol:

708.190626

ΔHf, kcal/mol:

92.6

Dipole, Da:

5.79

IP(EA), eV:

 -8.37(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[4-[[2-(3,4-dichlorophenyl)acetyl]amino]phenyl]-hydroxymethyl]-[[4-[5-[4-(4-methylcyclohexa-2,4-dien-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CN(CCNC1=CC=CC=C1)C2=NSC3=C2SC=C3C(=O)NCC(C#C)Cl

DOS

IR

Vibrations