Geometry & MOs

Info

ID:	137356
PubChem CID:	52196169
Reduced:	S2N4O4C17H22 (1)
Stoich.:	A2B4C4D17E22 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-139.57
Dipole, Da:	0.9
IP(EA), eV:	-8.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(1S)-1-phenylethyl]-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]oxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)CSC3=NNC(=O)N3C

DOS

IR

Vibrations