Geometry & MOs

Info

ID:	77954
PubChem CID:	49681201
Reduced:	S2F3O3N5C15H16 (1)
Stoich.:	A2B3C3D5E15F16 (1)
Weight, g/mol:	425.082761
ΔH_f, kcal/mol:	-208.06
Dipole, Da:	3.81
IP(EA), eV:	-9.19(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations