Geometry & MOs

Info

ID:	395419
PubChem CID:	135025405
Reduced:	SN5O6C36H53 (1)
Stoich.:	AB5C6D36E53 (1)
Weight, g/mol:	320.102174
ΔH_f, kcal/mol:	-255.9
Dipole, Da:	3.84
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(3-oxido-2-phenyltriazol-4-ylidene)-2-phenyltriazol-1-ium 1-oxide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(C)[C@H]1CCO[C@H](C1)C2=NC(=CS2)C(=O)N[C@@H](CC3=CC=CC=C3)C[C@H](C)C(=O)OC)NC(=O)[C@H]4CCCCN4C

DOS

IR

Vibrations