Geometry & MOs

Info

ID:	54338
PubChem CID:	17044741
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	465.054149
ΔH_f, kcal/mol:	-126.44
Dipole, Da:	7.84
IP(EA), eV:	-7.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)/NCC(OC)OC

DOS

IR

Vibrations