Geometry & MOs

Info

ID:	65419
PubChem CID:	29214901
Reduced:	SN8C15H26 (1)
Stoich.:	AB8C15D26 (1)
Weight, g/mol:	451.098207
ΔH_f, kcal/mol:	98.42
Dipole, Da:	6.66
IP(EA), eV:	-8.38(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)SC1=NN=C(N1N)N/N=C\C2=C(N(N=C2C)C(C)C)C

DOS

IR

Vibrations