Geometry & MOs

Info

ID:	60806
PubChem CID:	26702398
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	2.5
IP(EA), eV:	-8.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-4-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations