Geometry & MOs

Info

ID:	31324
PubChem CID:	855576
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	6.05
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations