Geometry & MOs

Info

ID:	40611
PubChem CID:	8144417
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	385.169822
ΔH_f, kcal/mol:	-106.31
Dipole, Da:	3.13
IP(EA), eV:	-8.81(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CN3CCOCC3

DOS

IR

Vibrations