Geometry & MOs

Info

ID:	238985
PubChem CID:	93165818
Reduced:	FSN2O2C24H27 (1)
Stoich.:	ABC2D2E24F27 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-76.05
Dipole, Da:	4.3
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations