Geometry & MOs

Info

ID:	243692
PubChem CID:	99234058
Reduced:	FSO3N4C24H29 (1)
Stoich.:	ABC3D4E24F29 (1)
Weight, g/mol:	472.19444
ΔH_f, kcal/mol:	-125.14
Dipole, Da:	6.36
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)N3CCC[C@@H](C3)CNC(=O)OC(C)(C)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations