Geometry & MOs

Info

ID:	142506
PubChem CID:	53046790
Reduced:	OSN3H11C12 (2)
Stoich.:	ABC3D11E12 (2)
Weight, g/mol:	496.054294
ΔH_f, kcal/mol:	56.98
Dipole, Da:	6.28
IP(EA), eV:	-8.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=C(C5=C(S4)N=CC=C5)N)C

DOS

IR

Vibrations