Geometry & MOs

Info

ID:	157787
PubChem CID:	56437226
Reduced:	SO2N6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	376.191069
ΔH_f, kcal/mol:	68.47
Dipole, Da:	7.4
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations