Geometry & MOs

Info

ID:	40553
PubChem CID:	8144317
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-71.84
Dipole, Da:	5.4
IP(EA), eV:	-8.55(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)CN4CCOCC4

DOS

IR

Vibrations