Geometry & MOs

Info

ID:	243638
PubChem CID:	99233573
Reduced:	O3N5C26H39 (1)
Stoich.:	A3B5C26D39 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	5.49
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N4CCC[C@@H](C4)CNC(=O)OC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations