Geometry & MOs

Info

ID:	176849
PubChem CID:	76104790
Reduced:	S2N5O7C20H21 (1)
Stoich.:	A2B5C7D20E21 (1)
Weight, g/mol:	403.204848
ΔH_f, kcal/mol:	-143.99
Dipole, Da:	4.43
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,2-diphenyl-2-(2-phenylphenyl)ethenyl]triazolidine

Drug info:

PubChemData

Smile

CC=CC=CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations