Geometry & MOs

Info

ID:	56617
PubChem CID:	17487195
Reduced:	S2O3N4H14C18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	452.108916
ΔH_f, kcal/mol:	35.84
Dipole, Da:	2.34
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CSC3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations