Geometry & MOs

Info

ID:	44590
PubChem CID:	10504243
Reduced:	ClNOPC27H41 (1)
Stoich.:	ABCDE27F41 (1)
Weight, g/mol:	461.05211
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	31.89
IP(EA), eV:	-6.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-methyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)C(C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations