Geometry & MOs

Info

ID:	441573
PubChem CID:	135236364
Reduced:	SO4N6C22H22 (1)
Stoich.:	AB4C6D22E22 (1)
Weight, g/mol:	494.173625
ΔH_f, kcal/mol:	-71.81
Dipole, Da:	6.76
IP(EA), eV:	-9.15(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC3=C(C(=O)N2CC4=CC=CC=C4C#N)SC(=C3)C(=O)NCC(=O)O)N

DOS

IR

Vibrations