Geometry & MOs

Info

ID:	243691
PubChem CID:	99234024
Reduced:	N3O6C27H35 (1)
Stoich.:	A3B6C27D35 (1)
Weight, g/mol:	472.19444
ΔH_f, kcal/mol:	-241.77
Dipole, Da:	5.53
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations