Geometry & MOs

Info

ID:	138751
PubChem CID:	52420109
Reduced:	SN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	170.062618
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	6.2
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azaniumylmethyl)-4-cyclopropyl-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N(C)[C@H](C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations