Geometry & MOs

Info

ID:	145732
PubChem CID:	53583466
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	348.044775
ΔH_f, kcal/mol:	63.88
Dipole, Da:	6.91
IP(EA), eV:	-8.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-methylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)NC(=O)NC2=CC=C(C=C2)C3=CSN=N3)C

DOS

IR

Vibrations