Geometry & MOs

Info

ID:	33675
PubChem CID:	7887430
Reduced:	FON2S2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-20.87
Dipole, Da:	3.01
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations