Geometry & MOs

Info

ID:	301693
PubChem CID:	123092044
Reduced:	SO2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	510.03612
ΔH_f, kcal/mol:	44.85
Dipole, Da:	6.54
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-[[(Z)-(6-bromo-2-oxonaphthalen-1-ylidene)methyl]amino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N\N2C=NN=C2SCC3=CC(=CC=C3)C(=O)OC

DOS

IR

Vibrations