Geometry & MOs

Info

ID:	301821
PubChem CID:	123096842
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	10.03
IP(EA), eV:	-9.03(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[[5-methyl-4-[(Z)-pyridin-4-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)C

DOS

IR

Vibrations