Geometry & MOs

Info

ID:	244782
PubChem CID:	99381457
Reduced:	BrSN3O3C15H20 (1)
Stoich.:	ABC3D3E15F20 (1)
Weight, g/mol:	401.04088
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	2.49
IP(EA), eV:	-9.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[(2R)-2-(2-amino-2-oxoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)N)NC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations