Geometry & MOs

Info

ID:	441572
PubChem CID:	135236363
Reduced:	OSN2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	466.142324
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	9.22
IP(EA), eV:	-8.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-cyanophenyl)methyl]-4-oxothieno[3,2-d]pyrimidine-6-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC(=N2)C)C)SC1=O

DOS

IR

Vibrations