Geometry & MOs

Info

ID:	36634
PubChem CID:	8010147
Reduced:	NSF2O6H15C16 (1)
Stoich.:	ABC2D6E15F16 (1)
Weight, g/mol:	396.059149
ΔH_f, kcal/mol:	-305.13
Dipole, Da:	3.01
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 4-(difluoromethoxy)-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(=O)OCC(=O)C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations