Geometry & MOs

Info

ID:	36358
PubChem CID:	8002288
Reduced:	ClFNO4H15C18 (1)
Stoich.:	ABCD4E15F18 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-157.06
Dipole, Da:	5.27
IP(EA), eV:	-8.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations