Geometry & MOs

Info

ID:	179560
PubChem CID:	76500349
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	710.210701
ΔH_f, kcal/mol:	11.09
Dipole, Da:	9.5
IP(EA), eV:	-9.66(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[2-[(2-aminoacetyl)-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]phenyl]-4-carboxy-1-oxobutan-2-yl]-dibenzyl-phenylmethoxycarbonylazanium

Drug info:

PubChemData

Smile

CCCC=C(C1C=C(C(=O)N=C1C)C#N)NOC

DOS

IR

Vibrations