Geometry & MOs

Info

ID:	244781
PubChem CID:	99381456
Reduced:	SO2N9C17H27 (1)
Stoich.:	AB2C9D17E27 (1)
Weight, g/mol:	401.04088
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	6.9
IP(EA), eV:	-8.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)N3CCCC[C@H]3CC(=O)N

DOS

IR

Vibrations