Geometry & MOs

Info

ID:	441574
PubChem CID:	135236365
Reduced:	SO4N6C24H26 (1)
Stoich.:	AB4C6D24E26 (1)
Weight, g/mol:	556.189275
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	3.29
IP(EA), eV:	-9.07(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-aminopiperidin-1-yl)-3-[(2-cyanophenyl)methyl]-4-oxothieno[3,2-d]pyrimidine-7-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC3=C(C(=O)N2CC4=CC=CC=C4C#N)SC=C3C(=O)NCCCC(=O)O)N

DOS

IR

Vibrations