Geometry & MOs

Info

ID:	40612
PubChem CID:	8144418
Reduced:	SO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.832337
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C[NH+](C)CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations