Geometry & MOs

Info

ID:	244246
PubChem CID:	99319571
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	416.168225
ΔH_f, kcal/mol:	-153.38
Dipole, Da:	2.06
IP(EA), eV:	-8.53(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)NCCNC(=O)CC2=CC(=CC=C2)F

DOS

IR

Vibrations