Geometry & MOs

Info

ID:	228962
PubChem CID:	87566440
Reduced:	ClNOF3H9C15 (1)
Stoich.:	ABCD3E9F15 (1)
Weight, g/mol:	461.124312
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	5.19
IP(EA), eV:	-10.07(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(thiadiazol-4-ylmethylidene)piperidin-4-yl] 2-methoxyethanethioate

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Cl)/C=C/C(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations