Geometry & MOs

Info

ID:	152389
PubChem CID:	56311304
Reduced:	F2N3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	479.199111
ΔH_f, kcal/mol:	-182.87
Dipole, Da:	6.65
IP(EA), eV:	-8.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[[5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCCC2=C(C=CC=C2F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations