Geometry & MOs

Info

ID:	243736
PubChem CID:	99234437
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	402.06128
ΔH_f, kcal/mol:	-16.52
Dipole, Da:	3.14
IP(EA), eV:	-8.61(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(5-bromothiophene-2-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)CCCCNC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CO4)C

DOS

IR

Vibrations