Geometry & MOs

Info

ID:	195131
PubChem CID:	78641084
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	389.043874
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	10.71
IP(EA), eV:	-9.53(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1CC(NC(=O)C1CNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F)C

DOS

IR

Vibrations